N-(3-methylbut-2-enyl)-2-propan-2-ylcyclohexan-1-amine

C14H27N — CID 107900207

IUPACN-(3-methylbut-2-enyl)-2-propan-2-ylcyclohexan-1-amine
SMILESCC(C)=CCNC1CCCCC1C(C)C
InChIInChI=1S/C14H27N/c1-11(2)9-10-15-14-8-6-5-7-13(14)12(3)4/h9,12-15H,5-8,10H2,1-4H3
InChIKeyVPEHIAVFANDTMI-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.76
Rot. Bonds4

About N-(3-methylbut-2-enyl)-2-propan-2-ylcyclohexan-1-amine

N-(3-methylbut-2-enyl)-2-propan-2-ylcyclohexan-1-amine (PubChem CID 107900207) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is N-(3-methylbut-2-enyl)-2-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(3-methylbut-2-enyl)-2-propan-2-ylcyclohexan-1-amine
PubChem CID107900207
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC NameN-(3-methylbut-2-enyl)-2-propan-2-ylcyclohexan-1-amine
SMILESCC(C)=CCNC1CCCCC1C(C)C
InChIInChI=1S/C14H27N/c1-11(2)9-10-15-14-8-6-5-7-13(14)12(3)4/h9,12-15H,5-8,10H2,1-4H3
InChIKeyVPEHIAVFANDTMI-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.76
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

3-[(1R)-4-methylcyclohex-3-en-1-yl]-N-propan-2-ylbutan-1-amine
CID 46886826
N-(3-methylbut-2-enyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 104934180
cis-(1R,2S)-N-(3-methylbut-2-enyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 124570490
trans-(1S,2S)-N-(3-methylbut-2-enyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 124570491
trans-(1R,2R)-N-(3-methylbut-2-enyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 124570492
cis-(1S,2R)-N-(3-methylbut-2-enyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 124570494
2-methyl-N-(prop-2-en-1-yl)cyclohexan-1-amine
CID 4711826
(1R,2S)-N-allyl-(2-methylcyclohexyl)amine
CID 11701071
4-methyl-N-(2-methylprop-2-enyl)cyclohexan-1-amine
CID 21444291
N-(2-cyclohexylethyl)-2-methylprop-2-en-1-amine
CID 62331508
(6E)-2-butyl-6-ethylidene-N-methylcyclohexan-1-amine
CID 90296458
N,3-diethyl-4,5,6-trimethylcyclohex-2-en-1-amine
CID 91100837

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbut-2-enyl)-2-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-(3-methylbut-2-enyl)-2-propan-2-ylcyclohexan-1-amine (CID 107900207) is N-(3-methylbut-2-enyl)-2-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-(3-methylbut-2-enyl)-2-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-(3-methylbut-2-enyl)-2-propan-2-ylcyclohexan-1-amine is CC(C)=CCNC1CCCCC1C(C)C.
What is the InChIKey of N-(3-methylbut-2-enyl)-2-propan-2-ylcyclohexan-1-amine?
The InChIKey is VPEHIAVFANDTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-11(2)9-10-15-14-8-6-5-7-13(14)12(3)4/h9,12-15H,5-8,10H2,1-4H3.
What are the key properties of N-(3-methylbut-2-enyl)-2-propan-2-ylcyclohexan-1-amine?
N-(3-methylbut-2-enyl)-2-propan-2-ylcyclohexan-1-amine has a molecular weight of 209.38 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbut-2-enyl)-2-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 107900207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).