N-[(4-cyclopropylphenyl)methyl]-3-ethylpentan-3-amine

C17H27N — CID 79984769

IUPACN-[(4-cyclopropylphenyl)methyl]-3-ethylpentan-3-amine
SMILESCCC(CC)(CC)NCc1ccc(C2CC2)cc1
InChIInChI=1S/C17H27N/c1-4-17(5-2,6-3)18-13-14-7-9-15(10-8-14)16-11-12-16/h7-10,16,18H,4-6,11-13H2,1-3H3
InChIKeyOMHSAWPZQKYSOD-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.62
Rot. Bonds7

About N-[(4-cyclopropylphenyl)methyl]-3-ethylpentan-3-amine

N-[(4-cyclopropylphenyl)methyl]-3-ethylpentan-3-amine (PubChem CID 79984769) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-[(4-cyclopropylphenyl)methyl]-3-ethylpentan-3-amine.

Molecular Properties

Compound NameN-[(4-cyclopropylphenyl)methyl]-3-ethylpentan-3-amine
PubChem CID79984769
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-[(4-cyclopropylphenyl)methyl]-3-ethylpentan-3-amine
SMILESCCC(CC)(CC)NCc1ccc(C2CC2)cc1
InChIInChI=1S/C17H27N/c1-4-17(5-2,6-3)18-13-14-7-9-15(10-8-14)16-11-12-16/h7-10,16,18H,4-6,11-13H2,1-3H3
InChIKeyOMHSAWPZQKYSOD-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(4-cyclopropylphenyl)methylamino]-2,3-dimethylbutan-2-ol
CID 106185527
N-[(4-cyclopropylphenyl)methyl]propan-2-amine
CID 62491335
3-ethyl-N-[(4-propan-2-ylphenyl)methyl]pentan-3-amine
CID 65039298
1-cyclopropyl-4-ethylbenzene;ethane;methane
CID 176955448
1-(4-cyclopropylphenyl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82720184
N-[(4-cyclopropylphenyl)methyl]-2-ethylcyclohexan-1-amine
CID 79979070
N-[(4-cyclopentylphenyl)methyl]hydroxylamine
CID 117282542
1-cyclopropyl-N-[(4-cyclopropylphenyl)methyl]ethanamine
CID 79979277
N-[(4-cyclopropylphenyl)methyl]-2-methylpropan-1-amine
CID 79979534
1-cyclopentyl-N-[(4-cyclopropylphenyl)methyl]methanamine
CID 79978986
2-(4-cyclopropylphenyl)-N-ethylethanamine
CID 79978257
N-[(4-cyclopropylphenyl)methyl]-3-ethylcyclohexan-1-amine
CID 79983701

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopropylphenyl)methyl]-3-ethylpentan-3-amine?
The IUPAC name of N-[(4-cyclopropylphenyl)methyl]-3-ethylpentan-3-amine (CID 79984769) is N-[(4-cyclopropylphenyl)methyl]-3-ethylpentan-3-amine.
What is the SMILES notation for N-[(4-cyclopropylphenyl)methyl]-3-ethylpentan-3-amine?
The canonical SMILES for N-[(4-cyclopropylphenyl)methyl]-3-ethylpentan-3-amine is CCC(CC)(CC)NCc1ccc(C2CC2)cc1.
What is the InChIKey of N-[(4-cyclopropylphenyl)methyl]-3-ethylpentan-3-amine?
The InChIKey is OMHSAWPZQKYSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-4-17(5-2,6-3)18-13-14-7-9-15(10-8-14)16-11-12-16/h7-10,16,18H,4-6,11-13H2,1-3H3.
What are the key properties of N-[(4-cyclopropylphenyl)methyl]-3-ethylpentan-3-amine?
N-[(4-cyclopropylphenyl)methyl]-3-ethylpentan-3-amine has a molecular weight of 245.41 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopropylphenyl)methyl]-3-ethylpentan-3-amine is sourced from PubChem (CID 79984769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).