4-(3-cyclopropylphenyl)-N-(2-methylpropyl)butan-1-amine

C17H27N — CID 79976953

IUPAC4-(3-cyclopropylphenyl)-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCCCCc1cccc(C2CC2)c1
InChIInChI=1S/C17H27N/c1-14(2)13-18-11-4-3-6-15-7-5-8-17(12-15)16-9-10-16/h5,7-8,12,14,16,18H,3-4,6,9-11,13H2,1-2H3
InChIKeyHQSGMAKPWJEJJC-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.13
Rot. Bonds8

About 4-(3-cyclopropylphenyl)-N-(2-methylpropyl)butan-1-amine

4-(3-cyclopropylphenyl)-N-(2-methylpropyl)butan-1-amine (PubChem CID 79976953) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is 4-(3-cyclopropylphenyl)-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name4-(3-cyclopropylphenyl)-N-(2-methylpropyl)butan-1-amine
PubChem CID79976953
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name4-(3-cyclopropylphenyl)-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCCCCc1cccc(C2CC2)c1
InChIInChI=1S/C17H27N/c1-14(2)13-18-11-4-3-6-15-7-5-8-17(12-15)16-9-10-16/h5,7-8,12,14,16,18H,3-4,6,9-11,13H2,1-2H3
InChIKeyHQSGMAKPWJEJJC-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.13
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

4-(3-cyclopropylphenyl)-N-(2-methoxyethyl)butan-1-amine
CID 79977194
4-[3-(difluoromethyl)phenyl]-N-(2-methylpropyl)butan-1-amine
CID 113329285
2-methyl-N-[3-(3-methylphenyl)propyl]propan-1-amine
CID 62367422
N'-[(3-cyclopropylphenyl)methyl]butane-1,4-diamine
CID 79979439
N-(2-methylpropyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yl)hexan-1-amine
CID 65308449
4-[3-(4-methylcyclohexyl)phenyl]butan-1-amine
CID 117366404
N'-[(3-cyclopropylphenyl)methyl]propane-1,3-diamine
CID 79979365
N-[(3-cyclopropylphenyl)methyl]-3-methylsulfanylpropan-1-amine
CID 79983696
4-(3-butylphenyl)cyclohexan-1-amine
CID 54377975
4-(3-cyclopentylphenyl)butan-1-amine
CID 117310057
2-(3-cyclopropylphenyl)ethanamine
CID 79983898
1-cyclobutyl-3-(2-methylpropyl)benzene
CID 169137072

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropylphenyl)-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 4-(3-cyclopropylphenyl)-N-(2-methylpropyl)butan-1-amine (CID 79976953) is 4-(3-cyclopropylphenyl)-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 4-(3-cyclopropylphenyl)-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 4-(3-cyclopropylphenyl)-N-(2-methylpropyl)butan-1-amine is CC(C)CNCCCCc1cccc(C2CC2)c1.
What is the InChIKey of 4-(3-cyclopropylphenyl)-N-(2-methylpropyl)butan-1-amine?
The InChIKey is HQSGMAKPWJEJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-14(2)13-18-11-4-3-6-15-7-5-8-17(12-15)16-9-10-16/h5,7-8,12,14,16,18H,3-4,6,9-11,13H2,1-2H3.
What are the key properties of 4-(3-cyclopropylphenyl)-N-(2-methylpropyl)butan-1-amine?
4-(3-cyclopropylphenyl)-N-(2-methylpropyl)butan-1-amine has a molecular weight of 245.41 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropylphenyl)-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 79976953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).