N-[[2-(3-methylbut-3-enyl)cyclopentyl]methyl]propan-2-amine

C14H27N — CID 114477712

IUPACN-[[2-(3-methylbut-3-enyl)cyclopentyl]methyl]propan-2-amine
SMILESC=C(C)CCC1CCCC1CNC(C)C
InChIInChI=1S/C14H27N/c1-11(2)8-9-13-6-5-7-14(13)10-15-12(3)4/h12-15H,1,5-10H2,2-4H3
InChIKeyOKFZBICCHPBLTH-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.76
Rot. Bonds6

About N-[[2-(3-methylbut-3-enyl)cyclopentyl]methyl]propan-2-amine

N-[[2-(3-methylbut-3-enyl)cyclopentyl]methyl]propan-2-amine (PubChem CID 114477712) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is N-[[2-(3-methylbut-3-enyl)cyclopentyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-methylbut-3-enyl)cyclopentyl]methyl]propan-2-amine
PubChem CID114477712
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC NameN-[[2-(3-methylbut-3-enyl)cyclopentyl]methyl]propan-2-amine
SMILESC=C(C)CCC1CCCC1CNC(C)C
InChIInChI=1S/C14H27N/c1-11(2)8-9-13-6-5-7-14(13)10-15-12(3)4/h12-15H,1,5-10H2,2-4H3
InChIKeyOKFZBICCHPBLTH-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
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

N-[[4-ethyl-2-(3-methylbut-3-enyl)cyclohexyl]methyl]propan-2-amine
CID 114477756
N-[[2-(3-methylbutyl)cyclopentyl]methyl]propan-2-amine
CID 81034843
N-[[2-(3-methylbut-3-enyl)cyclohexyl]methyl]propan-1-amine
CID 114477721
N-[(2-ethylcyclopentyl)methyl]propan-2-amine
CID 58787055
2-[(propan-2-ylamino)methyl]cyclopentan-1-ol
CID 13133892
1-[2-[(propan-2-ylamino)methyl]cyclopentyl]ethanone
CID 89340601
N-[[4-tert-butyl-2-(2-methylprop-2-enyl)cyclohexyl]methyl]propan-2-amine
CID 81030178
N-[[1-(3-methylbut-3-enyl)piperidin-4-yl]methyl]propan-2-amine
CID 114476807
N-[[2-(cyclohexylmethyl)cyclopentyl]methyl]propan-2-amine
CID 81034855
N-[(2-prop-2-enylcyclohexyl)methyl]propan-2-amine
CID 81028737
N-[[2-(2-propan-2-ylsulfanylethyl)cycloheptyl]methyl]propan-2-amine
CID 114268931
N-[[2-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentyl]methyl]propan-2-amine
CID 81033222

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methylbut-3-enyl)cyclopentyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(3-methylbut-3-enyl)cyclopentyl]methyl]propan-2-amine (CID 114477712) is N-[[2-(3-methylbut-3-enyl)cyclopentyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(3-methylbut-3-enyl)cyclopentyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(3-methylbut-3-enyl)cyclopentyl]methyl]propan-2-amine is C=C(C)CCC1CCCC1CNC(C)C.
What is the InChIKey of N-[[2-(3-methylbut-3-enyl)cyclopentyl]methyl]propan-2-amine?
The InChIKey is OKFZBICCHPBLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-11(2)8-9-13-6-5-7-14(13)10-15-12(3)4/h12-15H,1,5-10H2,2-4H3.
What are the key properties of N-[[2-(3-methylbut-3-enyl)cyclopentyl]methyl]propan-2-amine?
N-[[2-(3-methylbut-3-enyl)cyclopentyl]methyl]propan-2-amine has a molecular weight of 209.38 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methylbut-3-enyl)cyclopentyl]methyl]propan-2-amine is sourced from PubChem (CID 114477712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).