(2E)-1-N,7-N-dicyclohexyl-1-N,7-N,2-trimethylocta-2,7-diene-1,7-diamine

C23H42N2 — CID 143467546

IUPAC(2E)-1-N,7-N-dicyclohexyl-1-N,7-N,2-trimethylocta-2,7-diene-1,7-diamine
SMILESC=C(CCC/C=C(\C)CN(C)C1CCCCC1)N(C)C1CCCCC1
InChIInChI=1S/C23H42N2/c1-20(19-24(3)22-15-7-5-8-16-22)13-11-12-14-21(2)25(4)23-17-9-6-10-18-23/h13,22-23H,2,5-12,14-19H2,1,3-4H3/b20-13+
InChIKeyOLBGCHIJHARCJY-DEDYPNTBSA-N
MW346.60 g/mol
LogP6.15
Rot. Bonds9

About (2E)-1-N,7-N-dicyclohexyl-1-N,7-N,2-trimethylocta-2,7-diene-1,7-diamine

(2E)-1-N,7-N-dicyclohexyl-1-N,7-N,2-trimethylocta-2,7-diene-1,7-diamine (PubChem CID 143467546) has the molecular formula C23H42N2 and a molecular weight of 346.60 g/mol. Its IUPAC name is (2E)-1-N,7-N-dicyclohexyl-1-N,7-N,2-trimethylocta-2,7-diene-1,7-diamine.

Molecular Properties

Compound Name(2E)-1-N,7-N-dicyclohexyl-1-N,7-N,2-trimethylocta-2,7-diene-1,7-diamine
PubChem CID143467546
Molecular FormulaC23H42N2
Molecular Weight346.60 g/mol
Exact Mass346.33
IUPAC Name(2E)-1-N,7-N-dicyclohexyl-1-N,7-N,2-trimethylocta-2,7-diene-1,7-diamine
SMILESC=C(CCC/C=C(\C)CN(C)C1CCCCC1)N(C)C1CCCCC1
InChIInChI=1S/C23H42N2/c1-20(19-24(3)22-15-7-5-8-16-22)13-11-12-14-21(2)25(4)23-17-9-6-10-18-23/h13,22-23H,2,5-12,14-19H2,1,3-4H3/b20-13+
InChIKeyOLBGCHIJHARCJY-DEDYPNTBSA-N
XLogP6.15
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.60
LogP ≤ 56.15
H-Bond Donors ≤ 50
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 (2E)-1-N,7-N-dicyclohexyl-1-N,7-N,2-trimethylocta-2,7-diene-1,7-diamine with MolForge

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Launch Full Analysis

Related Compounds

1-Cyclohexen-1-amine, N-cyclohexyl-N-methyl-
CID 11344552
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-ethylcyclohexanamine
CID 134881537
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N-methylcyclohexanamine
CID 19362323
N,N-dicyclohexylcyclohexen-1-amine
CID 20259872
N-(3,7-dimethylocta-2,6-dienyl)-N-methylcyclohexanamine
CID 53881242
5-Cyclohexa-1,3-dien-1-yl-1-cyclohexyl-2,3-dihydropyrrole
CID 69198989
(2Z)-3,7-dimethyl-N-pent-1-en-2-yl-N-propan-2-ylocta-2,6-dien-1-amine
CID 88928165
N-methyl-N-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]cyclohexanamine
CID 89781913
N-methyl-N-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)cyclohexanamine
CID 123723596
(3E)-4-N,4-N-dicyclohexyl-2-N-(2-methylprop-2-enyl)-3-prop-1-en-2-ylhexa-1,3,5-triene-2,4-diamine
CID 130351791
1,2-dimethyl-N-(4-methylidenehexyl)-N-propyl-2H-pyridin-4-amine
CID 134422826
1-(cyclohexen-1-yl)-4-[(2Z,4E)-hepta-2,4-dien-4-yl]-3,6-dihydro-2H-pyridine
CID 142122880

Frequently Asked Questions

What is the IUPAC name of (2E)-1-N,7-N-dicyclohexyl-1-N,7-N,2-trimethylocta-2,7-diene-1,7-diamine?
The IUPAC name of (2E)-1-N,7-N-dicyclohexyl-1-N,7-N,2-trimethylocta-2,7-diene-1,7-diamine (CID 143467546) is (2E)-1-N,7-N-dicyclohexyl-1-N,7-N,2-trimethylocta-2,7-diene-1,7-diamine.
What is the SMILES notation for (2E)-1-N,7-N-dicyclohexyl-1-N,7-N,2-trimethylocta-2,7-diene-1,7-diamine?
The canonical SMILES for (2E)-1-N,7-N-dicyclohexyl-1-N,7-N,2-trimethylocta-2,7-diene-1,7-diamine is C=C(CCC/C=C(\C)CN(C)C1CCCCC1)N(C)C1CCCCC1.
What is the InChIKey of (2E)-1-N,7-N-dicyclohexyl-1-N,7-N,2-trimethylocta-2,7-diene-1,7-diamine?
The InChIKey is OLBGCHIJHARCJY-DEDYPNTBSA-N. The full InChI is InChI=1S/C23H42N2/c1-20(19-24(3)22-15-7-5-8-16-22)13-11-12-14-21(2)25(4)23-17-9-6-10-18-23/h13,22-23H,2,5-12,14-19H2,1,3-4H3/b20-13+.
What are the key properties of (2E)-1-N,7-N-dicyclohexyl-1-N,7-N,2-trimethylocta-2,7-diene-1,7-diamine?
(2E)-1-N,7-N-dicyclohexyl-1-N,7-N,2-trimethylocta-2,7-diene-1,7-diamine has a molecular weight of 346.60 g/mol, XLogP of 6.15, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-N,7-N-dicyclohexyl-1-N,7-N,2-trimethylocta-2,7-diene-1,7-diamine is sourced from PubChem (CID 143467546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).