2-cyclopropyl-4-methyl-N-propylpentan-1-amine

C12H25N — CID 104819242

IUPAC2-cyclopropyl-4-methyl-N-propylpentan-1-amine
SMILESCCCNCC(CC(C)C)C1CC1
InChIInChI=1S/C12H25N/c1-4-7-13-9-12(8-10(2)3)11-5-6-11/h10-13H,4-9H2,1-3H3
InChIKeyVFCXJQGWKQUGPX-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.06
Rot. Bonds7

About 2-cyclopropyl-4-methyl-N-propylpentan-1-amine

2-cyclopropyl-4-methyl-N-propylpentan-1-amine (PubChem CID 104819242) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 2-cyclopropyl-4-methyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-4-methyl-N-propylpentan-1-amine
PubChem CID104819242
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name2-cyclopropyl-4-methyl-N-propylpentan-1-amine
SMILESCCCNCC(CC(C)C)C1CC1
InChIInChI=1S/C12H25N/c1-4-7-13-9-12(8-10(2)3)11-5-6-11/h10-13H,4-9H2,1-3H3
InChIKeyVFCXJQGWKQUGPX-UHFFFAOYSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.06
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

2-cyclopentyl-4-methyl-N-propylheptan-1-amine
CID 112569912
2-cyclohexyl-N-propylpentan-1-amine
CID 82932453
N-(2,2-dicyclopropylethyl)propan-1-amine
CID 19374902
2-cyclopentyl-N-propylundecan-1-amine
CID 115926613
2-cyclopentyl-N-propyl-3-trimethylsilylpropan-1-amine
CID 106323935
2-cyclopentyl-N-propyldecan-1-amine
CID 112569910
2-methyl-N-propylpropan-1-amine
CID 520943
2-cyclopentyl-5,5-dimethyl-N-propylhexan-1-amine
CID 112569928
2-cyclopentyl-4-ethyl-N-(2-methylpropyl)hexan-1-amine
CID 112570163
N-(2-cyclohexyl-4-methylpentyl)cyclopropanamine
CID 82931479
2-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-4-methyl-N-propylpentan-1-amine
CID 62530495
[(3S)-5-methylhexan-3-yl]cyclopentane
CID 152864730

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-methyl-N-propylpentan-1-amine?
The IUPAC name of 2-cyclopropyl-4-methyl-N-propylpentan-1-amine (CID 104819242) is 2-cyclopropyl-4-methyl-N-propylpentan-1-amine.
What is the SMILES notation for 2-cyclopropyl-4-methyl-N-propylpentan-1-amine?
The canonical SMILES for 2-cyclopropyl-4-methyl-N-propylpentan-1-amine is CCCNCC(CC(C)C)C1CC1.
What is the InChIKey of 2-cyclopropyl-4-methyl-N-propylpentan-1-amine?
The InChIKey is VFCXJQGWKQUGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-4-7-13-9-12(8-10(2)3)11-5-6-11/h10-13H,4-9H2,1-3H3.
What are the key properties of 2-cyclopropyl-4-methyl-N-propylpentan-1-amine?
2-cyclopropyl-4-methyl-N-propylpentan-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-methyl-N-propylpentan-1-amine is sourced from PubChem (CID 104819242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).