4-[[4-[[(3S)-3,7-dimethyloct-6-enyl]amino]cyclohexyl]methyl]cyclohexan-1-amine

C23H44N2 — CID 6480564

IUPAC4-[[4-[[(3S)-3,7-dimethyloct-6-enyl]amino]cyclohexyl]methyl]cyclohexan-1-amine
SMILESCC(C)=CCC[C@H](C)CCNC1CCC(CC2CCC(N)CC2)CC1
InChIInChI=1S/C23H44N2/c1-18(2)5-4-6-19(3)15-16-25-23-13-9-21(10-14-23)17-20-7-11-22(24)12-8-20/h5,19-23,25H,4,6-17,24H2,1-3H3/t19-,20?,21?,22?,23?/m0/s1
InChIKeyNRZINCYUQNNQLR-PTLIKGBSSA-N
MW348.62 g/mol
LogP5.82
Rot. Bonds9

About 4-[[4-[[(3S)-3,7-dimethyloct-6-enyl]amino]cyclohexyl]methyl]cyclohexan-1-amine

4-[[4-[[(3S)-3,7-dimethyloct-6-enyl]amino]cyclohexyl]methyl]cyclohexan-1-amine (PubChem CID 6480564) has the molecular formula C23H44N2 and a molecular weight of 348.62 g/mol. Its IUPAC name is 4-[[4-[[(3S)-3,7-dimethyloct-6-enyl]amino]cyclohexyl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[[4-[[(3S)-3,7-dimethyloct-6-enyl]amino]cyclohexyl]methyl]cyclohexan-1-amine
PubChem CID6480564
Molecular FormulaC23H44N2
Molecular Weight348.62 g/mol
Exact Mass348.35
IUPAC Name4-[[4-[[(3S)-3,7-dimethyloct-6-enyl]amino]cyclohexyl]methyl]cyclohexan-1-amine
SMILESCC(C)=CCC[C@H](C)CCNC1CCC(CC2CCC(N)CC2)CC1
InChIInChI=1S/C23H44N2/c1-18(2)5-4-6-19(3)15-16-25-23-13-9-21(10-14-23)17-20-7-11-22(24)12-8-20/h5,19-23,25H,4,6-17,24H2,1-3H3/t19-,20?,21?,22?,23?/m0/s1
InChIKeyNRZINCYUQNNQLR-PTLIKGBSSA-N
XLogP5.82
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.62
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[[(3S)-3,7-dimethyloct-6-enyl]amino]cyclohexyl]methyl]cyclohexan-1-amine?
The IUPAC name of 4-[[4-[[(3S)-3,7-dimethyloct-6-enyl]amino]cyclohexyl]methyl]cyclohexan-1-amine (CID 6480564) is 4-[[4-[[(3S)-3,7-dimethyloct-6-enyl]amino]cyclohexyl]methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[[4-[[(3S)-3,7-dimethyloct-6-enyl]amino]cyclohexyl]methyl]cyclohexan-1-amine?
The canonical SMILES for 4-[[4-[[(3S)-3,7-dimethyloct-6-enyl]amino]cyclohexyl]methyl]cyclohexan-1-amine is CC(C)=CCC[C@H](C)CCNC1CCC(CC2CCC(N)CC2)CC1.
What is the InChIKey of 4-[[4-[[(3S)-3,7-dimethyloct-6-enyl]amino]cyclohexyl]methyl]cyclohexan-1-amine?
The InChIKey is NRZINCYUQNNQLR-PTLIKGBSSA-N. The full InChI is InChI=1S/C23H44N2/c1-18(2)5-4-6-19(3)15-16-25-23-13-9-21(10-14-23)17-20-7-11-22(24)12-8-20/h5,19-23,25H,4,6-17,24H2,1-3H3/t19-,20?,21?,22?,23?/m0/s1.
What are the key properties of 4-[[4-[[(3S)-3,7-dimethyloct-6-enyl]amino]cyclohexyl]methyl]cyclohexan-1-amine?
4-[[4-[[(3S)-3,7-dimethyloct-6-enyl]amino]cyclohexyl]methyl]cyclohexan-1-amine has a molecular weight of 348.62 g/mol, XLogP of 5.82, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[[(3S)-3,7-dimethyloct-6-enyl]amino]cyclohexyl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 6480564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).