(2Z)-N-[[4-[[[(2Z)-3,7-dimethylocta-2,6-dienyl]amino]methyl]cyclohexyl]methyl]-3,7-dimethylocta-2,6-dien-1-amine;dihydrochloride

C28H52Cl2N2 — CID 6437946

IUPAC(2Z)-N-[[4-[[[(2Z)-3,7-dimethylocta-2,6-dienyl]amino]methyl]cyclohexyl]methyl]-3,7-dimethylocta-2,6-dien-1-amine;dihydrochloride
SMILESCC(C)=CCC/C(C)=C\CNCC1CCC(CNC/C=C(/C)CCC=C(C)C)CC1.Cl.Cl
InChIInChI=1S/C28H50N2.2ClH/c1-23(2)9-7-11-25(5)17-19-29-21-27-13-15-28(16-14-27)22-30-20-18-26(6)12-8-10-24(3)4;;/h9-10,17-18,27-30H,7-8,11-16,19-22H2,1-6H3;2*1H/b25-17-,26-18-;;
InChIKeyZDMXWGVLXYXVTN-XKRXHFONSA-N
MW487.64 g/mol
LogP8.20
Rot. Bonds14

About (2Z)-N-[[4-[[[(2Z)-3,7-dimethylocta-2,6-dienyl]amino]methyl]cyclohexyl]methyl]-3,7-dimethylocta-2,6-dien-1-amine;dihydrochloride

(2Z)-N-[[4-[[[(2Z)-3,7-dimethylocta-2,6-dienyl]amino]methyl]cyclohexyl]methyl]-3,7-dimethylocta-2,6-dien-1-amine;dihydrochloride (PubChem CID 6437946) has the molecular formula C28H52Cl2N2 and a molecular weight of 487.64 g/mol. Its IUPAC name is (2Z)-N-[[4-[[[(2Z)-3,7-dimethylocta-2,6-dienyl]amino]methyl]cyclohexyl]methyl]-3,7-dimethylocta-2,6-dien-1-amine;dihydrochloride.

Molecular Properties

Compound Name(2Z)-N-[[4-[[[(2Z)-3,7-dimethylocta-2,6-dienyl]amino]methyl]cyclohexyl]methyl]-3,7-dimethylocta-2,6-dien-1-amine;dihydrochloride
PubChem CID6437946
Molecular FormulaC28H52Cl2N2
Molecular Weight487.64 g/mol
Exact Mass486.35
IUPAC Name(2Z)-N-[[4-[[[(2Z)-3,7-dimethylocta-2,6-dienyl]amino]methyl]cyclohexyl]methyl]-3,7-dimethylocta-2,6-dien-1-amine;dihydrochloride
SMILESCC(C)=CCC/C(C)=C\CNCC1CCC(CNC/C=C(/C)CCC=C(C)C)CC1.Cl.Cl
InChIInChI=1S/C28H50N2.2ClH/c1-23(2)9-7-11-25(5)17-19-29-21-27-13-15-28(16-14-27)22-30-20-18-26(6)12-8-10-24(3)4;;/h9-10,17-18,27-30H,7-8,11-16,19-22H2,1-6H3;2*1H/b25-17-,26-18-;;
InChIKeyZDMXWGVLXYXVTN-XKRXHFONSA-N
XLogP8.20
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.64
LogP ≤ 58.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2Z)-N-[[4-[[[(2Z)-3,7-dimethylocta-2,6-dienyl]amino]methyl]cyclohexyl]methyl]-3,7-dimethylocta-2,6-dien-1-amine;dihydrochloride with MolForge

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Related Compounds

1,4-Cyclohexanebis(methylamine), N,N'-bis(3-cyclohexenylmethyl)-, dihydrochloride
CID 102619
N-[[4-[(cyclohexylamino)methyl]cyclohex-3-en-1-yl]methyl]cyclohexanamine
CID 102745
1-cyclohexyl-N-[[4-[(cyclohexylmethylamino)methyl]cyclohex-3-en-1-yl]methyl]methanamine
CID 102747
2-cyclohexyl-N-[[4-[(2-cyclohexylethylamino)methyl]cyclohex-3-en-1-yl]methyl]ethanamine
CID 102798
N-(3,7-Dimethyloct-6-en-1-yl)-3,7-dimethyloct-6-en-1-amine
CID 13945557
(E)-1-cyclohexyl-N,2-dipropylhex-2-en-1-amine
CID 134999587
N-(cyclohexen-1-ylmethyl)-1-[4-[(cyclohexen-1-ylmethylamino)methyl]cyclohexyl]methanamine
CID 102194
N-(cyclohex-2-en-1-ylmethyl)-1-[4-[(cyclohex-2-en-1-ylmethylamino)methyl]cyclohexyl]methanamine
CID 102620
(2Z)-N-[[4-[[[(2Z)-3,7-dimethylocta-2,6-dienyl]amino]methyl]cyclohexyl]methyl]-3,7-dimethylocta-2,6-dien-1-amine
CID 6913048
(3,7-Dimethyl-oct-6-enyl)-{4-[1-(3,7-dimethyl-oct-6-enylamino)-1-methyl-ethyl]-1-methyl-cyclohexyl}-amine
CID 6480629
1-methyl-4-[1-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-3,6-dihydro-2H-pyridine
CID 20460480
N-(3-cyclohexylprop-2-enyl)heptan-1-amine
CID 53698238

Frequently Asked Questions

What is the IUPAC name of (2Z)-N-[[4-[[[(2Z)-3,7-dimethylocta-2,6-dienyl]amino]methyl]cyclohexyl]methyl]-3,7-dimethylocta-2,6-dien-1-amine;dihydrochloride?
The IUPAC name of (2Z)-N-[[4-[[[(2Z)-3,7-dimethylocta-2,6-dienyl]amino]methyl]cyclohexyl]methyl]-3,7-dimethylocta-2,6-dien-1-amine;dihydrochloride (CID 6437946) is (2Z)-N-[[4-[[[(2Z)-3,7-dimethylocta-2,6-dienyl]amino]methyl]cyclohexyl]methyl]-3,7-dimethylocta-2,6-dien-1-amine;dihydrochloride.
What is the SMILES notation for (2Z)-N-[[4-[[[(2Z)-3,7-dimethylocta-2,6-dienyl]amino]methyl]cyclohexyl]methyl]-3,7-dimethylocta-2,6-dien-1-amine;dihydrochloride?
The canonical SMILES for (2Z)-N-[[4-[[[(2Z)-3,7-dimethylocta-2,6-dienyl]amino]methyl]cyclohexyl]methyl]-3,7-dimethylocta-2,6-dien-1-amine;dihydrochloride is CC(C)=CCC/C(C)=C\CNCC1CCC(CNC/C=C(/C)CCC=C(C)C)CC1.Cl.Cl.
What is the InChIKey of (2Z)-N-[[4-[[[(2Z)-3,7-dimethylocta-2,6-dienyl]amino]methyl]cyclohexyl]methyl]-3,7-dimethylocta-2,6-dien-1-amine;dihydrochloride?
The InChIKey is ZDMXWGVLXYXVTN-XKRXHFONSA-N. The full InChI is InChI=1S/C28H50N2.2ClH/c1-23(2)9-7-11-25(5)17-19-29-21-27-13-15-28(16-14-27)22-30-20-18-26(6)12-8-10-24(3)4;;/h9-10,17-18,27-30H,7-8,11-16,19-22H2,1-6H3;2*1H/b25-17-,26-18-;;.
What are the key properties of (2Z)-N-[[4-[[[(2Z)-3,7-dimethylocta-2,6-dienyl]amino]methyl]cyclohexyl]methyl]-3,7-dimethylocta-2,6-dien-1-amine;dihydrochloride?
(2Z)-N-[[4-[[[(2Z)-3,7-dimethylocta-2,6-dienyl]amino]methyl]cyclohexyl]methyl]-3,7-dimethylocta-2,6-dien-1-amine;dihydrochloride has a molecular weight of 487.64 g/mol, XLogP of 8.20, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-[[4-[[[(2Z)-3,7-dimethylocta-2,6-dienyl]amino]methyl]cyclohexyl]methyl]-3,7-dimethylocta-2,6-dien-1-amine;dihydrochloride is sourced from PubChem (CID 6437946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).