3-ethyl-N-[(4-propan-2-ylphenyl)methyl]pentan-3-amine

C17H29N — CID 65039298

IUPAC3-ethyl-N-[(4-propan-2-ylphenyl)methyl]pentan-3-amine
SMILESCCC(CC)(CC)NCc1ccc(C(C)C)cc1
InChIInChI=1S/C17H29N/c1-6-17(7-2,8-3)18-13-15-9-11-16(12-10-15)14(4)5/h9-12,14,18H,6-8,13H2,1-5H3
InChIKeyYKPCTWRZGGTQKY-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.87
Rot. Bonds7

About 3-ethyl-N-[(4-propan-2-ylphenyl)methyl]pentan-3-amine

3-ethyl-N-[(4-propan-2-ylphenyl)methyl]pentan-3-amine (PubChem CID 65039298) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 3-ethyl-N-[(4-propan-2-ylphenyl)methyl]pentan-3-amine.

Molecular Properties

Compound Name3-ethyl-N-[(4-propan-2-ylphenyl)methyl]pentan-3-amine
PubChem CID65039298
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name3-ethyl-N-[(4-propan-2-ylphenyl)methyl]pentan-3-amine
SMILESCCC(CC)(CC)NCc1ccc(C(C)C)cc1
InChIInChI=1S/C17H29N/c1-6-17(7-2,8-3)18-13-15-9-11-16(12-10-15)14(4)5/h9-12,14,18H,6-8,13H2,1-5H3
InChIKeyYKPCTWRZGGTQKY-UHFFFAOYSA-N
XLogP4.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-2-(chloromethyl)-N-[(4-propan-2-ylphenyl)methyl]butan-2-amine
CID 107867136
3-methyl-N-[(4-propan-2-ylphenyl)methyl]pentan-3-amine
CID 106328140
2-methyl-2-N-[(4-propan-2-ylphenyl)methyl]propane-1,2-diamine
CID 115131859
3-ethyl-N-[(4-phenylphenyl)methyl]pentan-3-amine
CID 65039408
N-[(4-propan-2-ylphenyl)methyl]ethanamine;hydrochloride
CID 17331855
N-[(4-propan-2-ylphenyl)methyl]butan-2-amine
CID 4723370
2-methyl-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 4725253
N-methyl-N'-[(4-propan-2-ylphenyl)methyl]methanediamine
CID 115226785
4-[[(4-propan-2-ylphenyl)methylamino]methyl]aniline
CID 115212458
2-chloro-5-[(3-ethylpentan-3-ylamino)methyl]aniline
CID 65041252
N-[(4-propan-2-ylphenyl)methyl]heptan-2-amine
CID 43398775
N-[(2-methylpropan-2-yl)oxy]-1-(4-propan-2-ylphenyl)methanamine
CID 82719677

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(4-propan-2-ylphenyl)methyl]pentan-3-amine?
The IUPAC name of 3-ethyl-N-[(4-propan-2-ylphenyl)methyl]pentan-3-amine (CID 65039298) is 3-ethyl-N-[(4-propan-2-ylphenyl)methyl]pentan-3-amine.
What is the SMILES notation for 3-ethyl-N-[(4-propan-2-ylphenyl)methyl]pentan-3-amine?
The canonical SMILES for 3-ethyl-N-[(4-propan-2-ylphenyl)methyl]pentan-3-amine is CCC(CC)(CC)NCc1ccc(C(C)C)cc1.
What is the InChIKey of 3-ethyl-N-[(4-propan-2-ylphenyl)methyl]pentan-3-amine?
The InChIKey is YKPCTWRZGGTQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-6-17(7-2,8-3)18-13-15-9-11-16(12-10-15)14(4)5/h9-12,14,18H,6-8,13H2,1-5H3.
What are the key properties of 3-ethyl-N-[(4-propan-2-ylphenyl)methyl]pentan-3-amine?
3-ethyl-N-[(4-propan-2-ylphenyl)methyl]pentan-3-amine has a molecular weight of 247.43 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(4-propan-2-ylphenyl)methyl]pentan-3-amine is sourced from PubChem (CID 65039298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).