N-(cycloheptylmethyl)-2-methylprop-2-en-1-amine

C12H23N — CID 114615888

IUPACN-(cycloheptylmethyl)-2-methylprop-2-en-1-amine
SMILESC=C(C)CNCC1CCCCCC1
InChIInChI=1S/C12H23N/c1-11(2)9-13-10-12-7-5-3-4-6-8-12/h12-13H,1,3-10H2,2H3
InChIKeyLPKZQKPJDAHRNH-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.12
Rot. Bonds4

About N-(cycloheptylmethyl)-2-methylprop-2-en-1-amine

N-(cycloheptylmethyl)-2-methylprop-2-en-1-amine (PubChem CID 114615888) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N-(cycloheptylmethyl)-2-methylprop-2-en-1-amine.

Molecular Properties

Compound NameN-(cycloheptylmethyl)-2-methylprop-2-en-1-amine
PubChem CID114615888
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN-(cycloheptylmethyl)-2-methylprop-2-en-1-amine
SMILESC=C(C)CNCC1CCCCCC1
InChIInChI=1S/C12H23N/c1-11(2)9-13-10-12-7-5-3-4-6-8-12/h12-13H,1,3-10H2,2H3
InChIKeyLPKZQKPJDAHRNH-UHFFFAOYSA-N
XLogP3.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.12
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

N-[(4-tert-butylcyclohexyl)methyl]-2-methylprop-2-en-1-amine
CID 114615781
N-(cyclohexylmethyl)-2,3-dimethylbut-2-en-1-amine
CID 142079067
(cyclononylmethylamino)methanol
CID 137465268
3-[(2-methylprop-2-enylamino)methyl]cyclopentan-1-ol
CID 106129426
1-(cyclobutylmethylamino)propan-2-one
CID 115234815
2-(cycloheptylmethylamino)-N,N-diethylacetamide
CID 113253458
2-(cyclooctylmethylamino)-N-methylacetamide
CID 134293833
(2Z)-3-chloro-N-(cyclohexylmethyl)-2-ethenylpenta-2,4-dien-1-amine
CID 144709790
N'-(cyclopentylmethyl)-N-methylmethanediamine
CID 115226926
1-cyclobutyl-N-(cyclobutylmethyl)methanamine
CID 54206114
2-(cycloheptylmethylamino)-N-ethyl-N-methylacetamide
CID 104923486
3-cyclopentyl-N-(2-methylprop-2-enyl)propanamide
CID 91695995

Frequently Asked Questions

What is the IUPAC name of N-(cycloheptylmethyl)-2-methylprop-2-en-1-amine?
The IUPAC name of N-(cycloheptylmethyl)-2-methylprop-2-en-1-amine (CID 114615888) is N-(cycloheptylmethyl)-2-methylprop-2-en-1-amine.
What is the SMILES notation for N-(cycloheptylmethyl)-2-methylprop-2-en-1-amine?
The canonical SMILES for N-(cycloheptylmethyl)-2-methylprop-2-en-1-amine is C=C(C)CNCC1CCCCCC1.
What is the InChIKey of N-(cycloheptylmethyl)-2-methylprop-2-en-1-amine?
The InChIKey is LPKZQKPJDAHRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-11(2)9-13-10-12-7-5-3-4-6-8-12/h12-13H,1,3-10H2,2H3.
What are the key properties of N-(cycloheptylmethyl)-2-methylprop-2-en-1-amine?
N-(cycloheptylmethyl)-2-methylprop-2-en-1-amine has a molecular weight of 181.32 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cycloheptylmethyl)-2-methylprop-2-en-1-amine is sourced from PubChem (CID 114615888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).