N-(2,2-dimethylpropyl)-N,6-dimethylhept-4-en-1-amine;N-(2,2-dimethylpropyl)-6-methylhept-4-en-1-amine

C27H56N2 — CID 162282257

IUPACN-(2,2-dimethylpropyl)-N,6-dimethylhept-4-en-1-amine;N-(2,2-dimethylpropyl)-6-methylhept-4-en-1-amine
SMILESCC(C)C=CCCCN(C)CC(C)(C)C.CC(C)C=CCCCNCC(C)(C)C
InChIInChI=1S/C14H29N.C13H27N/c1-13(2)10-8-7-9-11-15(6)12-14(3,4)5;1-12(2)9-7-6-8-10-14-11-13(3,4)5/h8,10,13H,7,9,11-12H2,1-6H3;7,9,12,14H,6,8,10-11H2,1-5H3
InChIKeyKZOZNRWIAFKDSR-UHFFFAOYSA-N
MW408.76 g/mol
LogP7.57
Rot. Bonds12

About N-(2,2-dimethylpropyl)-N,6-dimethylhept-4-en-1-amine;N-(2,2-dimethylpropyl)-6-methylhept-4-en-1-amine

N-(2,2-dimethylpropyl)-N,6-dimethylhept-4-en-1-amine;N-(2,2-dimethylpropyl)-6-methylhept-4-en-1-amine (PubChem CID 162282257) has the molecular formula C27H56N2 and a molecular weight of 408.76 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-N,6-dimethylhept-4-en-1-amine;N-(2,2-dimethylpropyl)-6-methylhept-4-en-1-amine.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-N,6-dimethylhept-4-en-1-amine;N-(2,2-dimethylpropyl)-6-methylhept-4-en-1-amine
PubChem CID162282257
Molecular FormulaC27H56N2
Molecular Weight408.76 g/mol
Exact Mass408.44
IUPAC NameN-(2,2-dimethylpropyl)-N,6-dimethylhept-4-en-1-amine;N-(2,2-dimethylpropyl)-6-methylhept-4-en-1-amine
SMILESCC(C)C=CCCCN(C)CC(C)(C)C.CC(C)C=CCCCNCC(C)(C)C
InChIInChI=1S/C14H29N.C13H27N/c1-13(2)10-8-7-9-11-15(6)12-14(3,4)5;1-12(2)9-7-6-8-10-14-11-13(3,4)5/h8,10,13H,7,9,11-12H2,1-6H3;7,9,12,14H,6,8,10-11H2,1-5H3
InChIKeyKZOZNRWIAFKDSR-UHFFFAOYSA-N
XLogP7.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.76
LogP ≤ 57.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2,2-dimethylpropyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine;hydrochloride
CID 115607183
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CID 90148563
N-(2,2-dimethylpropyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 115622503
N-(2,2-dimethylpropyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62635072
N'-(2,2-dimethylpropyl)-N-(2-methoxyethyl)-N'-methylbutane-1,4-diamine
CID 62562216
N-tert-butyl-N'-(2,2-dimethylpropyl)-N'-methylbutane-1,4-diamine
CID 62461728
N'-(2,2-dimethylpropyl)-N-(3-ethoxypropyl)-N'-methylethane-1,2-diamine
CID 62557181
N-(2,2-dimethylpropyl)-N'-propan-2-ylpropane-1,3-diamine
CID 61166306
N-(2,2-dimethylpropyl)-9-methyldecan-1-amine
CID 146339864
N'-butan-2-yl-N-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine;hydrochloride
CID 115607911
N-(2,2-dimethylpropyl)-6-methylnonan-1-amine
CID 166678399
4-[2,2-dimethylpropyl(methyl)amino]butanehydrazide
CID 63583890

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-N,6-dimethylhept-4-en-1-amine;N-(2,2-dimethylpropyl)-6-methylhept-4-en-1-amine?
The IUPAC name of N-(2,2-dimethylpropyl)-N,6-dimethylhept-4-en-1-amine;N-(2,2-dimethylpropyl)-6-methylhept-4-en-1-amine (CID 162282257) is N-(2,2-dimethylpropyl)-N,6-dimethylhept-4-en-1-amine;N-(2,2-dimethylpropyl)-6-methylhept-4-en-1-amine.
What is the SMILES notation for N-(2,2-dimethylpropyl)-N,6-dimethylhept-4-en-1-amine;N-(2,2-dimethylpropyl)-6-methylhept-4-en-1-amine?
The canonical SMILES for N-(2,2-dimethylpropyl)-N,6-dimethylhept-4-en-1-amine;N-(2,2-dimethylpropyl)-6-methylhept-4-en-1-amine is CC(C)C=CCCCN(C)CC(C)(C)C.CC(C)C=CCCCNCC(C)(C)C.
What is the InChIKey of N-(2,2-dimethylpropyl)-N,6-dimethylhept-4-en-1-amine;N-(2,2-dimethylpropyl)-6-methylhept-4-en-1-amine?
The InChIKey is KZOZNRWIAFKDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N.C13H27N/c1-13(2)10-8-7-9-11-15(6)12-14(3,4)5;1-12(2)9-7-6-8-10-14-11-13(3,4)5/h8,10,13H,7,9,11-12H2,1-6H3;7,9,12,14H,6,8,10-11H2,1-5H3.
What are the key properties of N-(2,2-dimethylpropyl)-N,6-dimethylhept-4-en-1-amine;N-(2,2-dimethylpropyl)-6-methylhept-4-en-1-amine?
N-(2,2-dimethylpropyl)-N,6-dimethylhept-4-en-1-amine;N-(2,2-dimethylpropyl)-6-methylhept-4-en-1-amine has a molecular weight of 408.76 g/mol, XLogP of 7.57, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-N,6-dimethylhept-4-en-1-amine;N-(2,2-dimethylpropyl)-6-methylhept-4-en-1-amine is sourced from PubChem (CID 162282257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).