4-butan-2-yl-8-ethyl-N,7-dimethyltetradec-5-en-1-amine

C22H45N — CID 123496101

IUPAC4-butan-2-yl-8-ethyl-N,7-dimethyltetradec-5-en-1-amine
SMILESCCCCCCC(CC)C(C)C=CC(CCCNC)C(C)CC
InChIInChI=1S/C22H45N/c1-7-10-11-12-14-21(9-3)20(5)16-17-22(19(4)8-2)15-13-18-23-6/h16-17,19-23H,7-15,18H2,1-6H3
InChIKeyWPOJLOFCVLJNSR-UHFFFAOYSA-N
MW323.61 g/mol
LogP6.84
Rot. Bonds15

About 4-butan-2-yl-8-ethyl-N,7-dimethyltetradec-5-en-1-amine

4-butan-2-yl-8-ethyl-N,7-dimethyltetradec-5-en-1-amine (PubChem CID 123496101) has the molecular formula C22H45N and a molecular weight of 323.61 g/mol. Its IUPAC name is 4-butan-2-yl-8-ethyl-N,7-dimethyltetradec-5-en-1-amine.

Molecular Properties

Compound Name4-butan-2-yl-8-ethyl-N,7-dimethyltetradec-5-en-1-amine
PubChem CID123496101
Molecular FormulaC22H45N
Molecular Weight323.61 g/mol
Exact Mass323.36
IUPAC Name4-butan-2-yl-8-ethyl-N,7-dimethyltetradec-5-en-1-amine
SMILESCCCCCCC(CC)C(C)C=CC(CCCNC)C(C)CC
InChIInChI=1S/C22H45N/c1-7-10-11-12-14-21(9-3)20(5)16-17-22(19(4)8-2)15-13-18-23-6/h16-17,19-23H,7-15,18H2,1-6H3
InChIKeyWPOJLOFCVLJNSR-UHFFFAOYSA-N
XLogP6.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.61
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-N'-{[6-methyl-4-(4-methylpent-3-en-1-yl)cyclohex-3-en-1-yl]methyl}propane-1,3-diamine
CID 2855628
N-methyl-1-(2,4,6-trimethylcyclohex-3-en-1-yl)methanamine
CID 2855350
Ethylamine, 2-(2-cyclopentenyl)-N,1-dimethyl-
CID 49662
3-[(1R)-4-methylcyclohex-3-en-1-yl]-N-propylbutan-1-amine
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3-[(1R)-4-methylcyclohex-3-en-1-yl]-N-propan-2-ylbutan-1-amine
CID 46886826
[(2,6-Dimethylcyclohex-2-en-1-yl)methyl](methyl)amine
CID 130645649
[(2,4-Dimethylcyclohex-3-en-1-yl)methyl](methyl)amine
CID 177798578
(E)-N-methyloctadec-9-en-1-amine
CID 19097637
(Z)-N-methyloctadec-9-en-1-amine
CID 59554700
7-fluoro-N,8,11-trimethyl-4-(3-methylcyclopentyl)dodec-10-en-1-amine
CID 91313559
4-ethyl-2-(1-fluoro-2-methylprop-2-enyl)-N-methylhept-4-en-1-amine
CID 123263201
14-fluoro-12-(fluoromethyl)-N,11,11-trimethyl-2-propyltetradeca-4,9-dien-1-amine
CID 123484686

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-8-ethyl-N,7-dimethyltetradec-5-en-1-amine?
The IUPAC name of 4-butan-2-yl-8-ethyl-N,7-dimethyltetradec-5-en-1-amine (CID 123496101) is 4-butan-2-yl-8-ethyl-N,7-dimethyltetradec-5-en-1-amine.
What is the SMILES notation for 4-butan-2-yl-8-ethyl-N,7-dimethyltetradec-5-en-1-amine?
The canonical SMILES for 4-butan-2-yl-8-ethyl-N,7-dimethyltetradec-5-en-1-amine is CCCCCCC(CC)C(C)C=CC(CCCNC)C(C)CC.
What is the InChIKey of 4-butan-2-yl-8-ethyl-N,7-dimethyltetradec-5-en-1-amine?
The InChIKey is WPOJLOFCVLJNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45N/c1-7-10-11-12-14-21(9-3)20(5)16-17-22(19(4)8-2)15-13-18-23-6/h16-17,19-23H,7-15,18H2,1-6H3.
What are the key properties of 4-butan-2-yl-8-ethyl-N,7-dimethyltetradec-5-en-1-amine?
4-butan-2-yl-8-ethyl-N,7-dimethyltetradec-5-en-1-amine has a molecular weight of 323.61 g/mol, XLogP of 6.84, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-8-ethyl-N,7-dimethyltetradec-5-en-1-amine is sourced from PubChem (CID 123496101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).