1-cyclopropyl-N-(3-cyclopropylpropyl)propan-2-amine

C12H23N — CID 115890825

IUPAC1-cyclopropyl-N-(3-cyclopropylpropyl)propan-2-amine
SMILESCC(CC1CC1)NCCCC1CC1
InChIInChI=1S/C12H23N/c1-10(9-12-6-7-12)13-8-2-3-11-4-5-11/h10-13H,2-9H2,1H3
InChIKeyOJBZSPIYFKJXPM-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.95
Rot. Bonds7

About 1-cyclopropyl-N-(3-cyclopropylpropyl)propan-2-amine

1-cyclopropyl-N-(3-cyclopropylpropyl)propan-2-amine (PubChem CID 115890825) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 1-cyclopropyl-N-(3-cyclopropylpropyl)propan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-(3-cyclopropylpropyl)propan-2-amine
PubChem CID115890825
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name1-cyclopropyl-N-(3-cyclopropylpropyl)propan-2-amine
SMILESCC(CC1CC1)NCCCC1CC1
InChIInChI=1S/C12H23N/c1-10(9-12-6-7-12)13-8-2-3-11-4-5-11/h10-13H,2-9H2,1H3
InChIKeyOJBZSPIYFKJXPM-UHFFFAOYSA-N
XLogP2.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.95
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-(1-cyclopropylpropan-2-yl)-4-methylpentan-1-amine
CID 81300289
N'-(1-cyclopropylpropan-2-yl)-N-methylpropane-1,3-diamine
CID 91064038
N-(1-cyclopropylpropan-2-yl)pent-4-yn-1-amine
CID 115724863
1-cyclopropyl-N-[3-(oxan-2-yl)propyl]propan-2-amine
CID 104629286
N-(3-cyclopropylpropyl)-4-methoxybutan-2-amine
CID 115688384
1-cyclopropyl-N-(3-methylsulfinylpropyl)propan-2-amine
CID 115721005
N-(1-cyclopropylpropan-2-yl)-6-methylsulfanylhexan-1-amine
CID 104537240
1-cyclopropyl-N-(2-methylsulfanylethyl)propan-2-amine
CID 115706204
3-cyclotetradecyl-N-propan-2-ylpropan-1-amine
CID 91804535
N-(3-cyclohexyloxypropyl)-1-cyclopropylpropan-2-amine
CID 115707843
(E)-N-(1-cyclopropylpropan-2-yl)pent-3-en-1-amine
CID 115890255
N-(1-cyclobutylpropan-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 115705382

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(3-cyclopropylpropyl)propan-2-amine?
The IUPAC name of 1-cyclopropyl-N-(3-cyclopropylpropyl)propan-2-amine (CID 115890825) is 1-cyclopropyl-N-(3-cyclopropylpropyl)propan-2-amine.
What is the SMILES notation for 1-cyclopropyl-N-(3-cyclopropylpropyl)propan-2-amine?
The canonical SMILES for 1-cyclopropyl-N-(3-cyclopropylpropyl)propan-2-amine is CC(CC1CC1)NCCCC1CC1.
What is the InChIKey of 1-cyclopropyl-N-(3-cyclopropylpropyl)propan-2-amine?
The InChIKey is OJBZSPIYFKJXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-10(9-12-6-7-12)13-8-2-3-11-4-5-11/h10-13H,2-9H2,1H3.
What are the key properties of 1-cyclopropyl-N-(3-cyclopropylpropyl)propan-2-amine?
1-cyclopropyl-N-(3-cyclopropylpropyl)propan-2-amine has a molecular weight of 181.32 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(3-cyclopropylpropyl)propan-2-amine is sourced from PubChem (CID 115890825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).