N-[(2-cyclopropylcyclopentyl)methyl]propan-1-amine

C12H23N — CID 81033857

IUPACN-[(2-cyclopropylcyclopentyl)methyl]propan-1-amine
SMILESCCCNCC1CCCC1C1CC1
InChIInChI=1S/C12H23N/c1-2-8-13-9-11-4-3-5-12(11)10-6-7-10/h10-13H,2-9H2,1H3
InChIKeyJJZZLHBUDMGDTL-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.81
Rot. Bonds5

About N-[(2-cyclopropylcyclopentyl)methyl]propan-1-amine

N-[(2-cyclopropylcyclopentyl)methyl]propan-1-amine (PubChem CID 81033857) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N-[(2-cyclopropylcyclopentyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-cyclopropylcyclopentyl)methyl]propan-1-amine
PubChem CID81033857
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN-[(2-cyclopropylcyclopentyl)methyl]propan-1-amine
SMILESCCCNCC1CCCC1C1CC1
InChIInChI=1S/C12H23N/c1-2-8-13-9-11-4-3-5-12(11)10-6-7-10/h10-13H,2-9H2,1H3
InChIKeyJJZZLHBUDMGDTL-UHFFFAOYSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-cyclohexylcycloheptyl)methyl]propan-1-amine
CID 81026009
N-[[2-(oxan-4-yl)cyclohexyl]methyl]propan-1-amine
CID 81028730
N-[[2-(3-ethylcyclohexyl)cyclohexyl]methyl]propan-1-amine
CID 81026761
N-[[2-(3-methylsulfonylcyclohexyl)cyclopentyl]methyl]propan-1-amine
CID 81034468
N-[[2-(4-ethylcyclohexyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 81028909
N-[[2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentyl]methyl]propan-1-amine
CID 81033535
N-[[2-(3-methylsulfonylcyclohexyl)cyclobutyl]methyl]propan-1-amine
CID 81017516
N-[(2-decylcyclopentyl)methyl]propan-1-amine
CID 81035001
N-[[2-(2-methylprop-2-enyl)cyclopentyl]methyl]propan-1-amine
CID 81032712
N-[(2-butylcyclohexyl)methyl]propan-1-amine
CID 81028150
N-[[2-[(3Z)-3-butylcyclooct-3-en-1-yl]cycloheptyl]methyl]propan-1-amine
CID 166979259
1-(2-cyclohexylcyclopentyl)-N-methylmethanamine
CID 81033950

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopropylcyclopentyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-cyclopropylcyclopentyl)methyl]propan-1-amine (CID 81033857) is N-[(2-cyclopropylcyclopentyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-cyclopropylcyclopentyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-cyclopropylcyclopentyl)methyl]propan-1-amine is CCCNCC1CCCC1C1CC1.
What is the InChIKey of N-[(2-cyclopropylcyclopentyl)methyl]propan-1-amine?
The InChIKey is JJZZLHBUDMGDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-2-8-13-9-11-4-3-5-12(11)10-6-7-10/h10-13H,2-9H2,1H3.
What are the key properties of N-[(2-cyclopropylcyclopentyl)methyl]propan-1-amine?
N-[(2-cyclopropylcyclopentyl)methyl]propan-1-amine has a molecular weight of 181.32 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopropylcyclopentyl)methyl]propan-1-amine is sourced from PubChem (CID 81033857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).