N-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentanamine

C15H27N — CID 164620837

IUPACN-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentanamine
SMILESCC(C)=CCC/C(C)=C/CNC1CCCC1
InChIInChI=1S/C15H27N/c1-13(2)7-6-8-14(3)11-12-16-15-9-4-5-10-15/h7,11,15-16H,4-6,8-10,12H2,1-3H3/b14-11+
InChIKeySMBQCSAHIJCFFW-SDNWHVSQSA-N
MW221.39 g/mol
LogP4.21
Rot. Bonds6

About N-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentanamine

N-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentanamine (PubChem CID 164620837) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is N-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentanamine
PubChem CID164620837
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC NameN-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentanamine
SMILESCC(C)=CCC/C(C)=C/CNC1CCCC1
InChIInChI=1S/C15H27N/c1-13(2)7-6-8-14(3)11-12-16-15-9-4-5-10-15/h7,11,15-16H,4-6,8-10,12H2,1-3H3/b14-11+
InChIKeySMBQCSAHIJCFFW-SDNWHVSQSA-N
XLogP4.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Isometheptene
CID 22297
Isometheptene Hydrochloride
CID 22549
Dexisometheptene
CID 24871315
(2S,6S)-2,6-diallyl-4-methyl-1,2,3,6-tetrahydropyridinium
CID 16193239
Cyclopropanamine, N-(4,8,13,17,21-pentamethyl-4,8,12,16,20-docosapentaenyl)-, (all-E)-
CID 6505320
N-(2-cyclopentylideneethyl)cyclohexanamine
CID 23646101
2,6-Diallyl-4-methyl-1,2,3,6-tetrahydropyridine
CID 2859356
N-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopropanamine
CID 141815373
Isometheptene-mucate
CID 6604597
1-(Cyclohexa-1,4-dien-1-yl)-N-methylpropan-2-amine
CID 57487843
(2S,6S)-2,6-Diallyl-4-methyl-1,2,3,6-tetrahydropyridine
CID 2063692
6-Methyl-N-(prop-2-en-1-yl)hept-5-en-2-amine
CID 20850

Frequently Asked Questions

What is the IUPAC name of N-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentanamine?
The IUPAC name of N-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentanamine (CID 164620837) is N-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentanamine.
What is the SMILES notation for N-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentanamine?
The canonical SMILES for N-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentanamine is CC(C)=CCC/C(C)=C/CNC1CCCC1.
What is the InChIKey of N-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentanamine?
The InChIKey is SMBQCSAHIJCFFW-SDNWHVSQSA-N. The full InChI is InChI=1S/C15H27N/c1-13(2)7-6-8-14(3)11-12-16-15-9-4-5-10-15/h7,11,15-16H,4-6,8-10,12H2,1-3H3/b14-11+.
What are the key properties of N-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentanamine?
N-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentanamine has a molecular weight of 221.39 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopentanamine is sourced from PubChem (CID 164620837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).