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

C16H27N — CID 106328140

IUPAC3-methyl-N-[(4-propan-2-ylphenyl)methyl]pentan-3-amine
SMILESCCC(C)(CC)NCc1ccc(C(C)C)cc1
InChIInChI=1S/C16H27N/c1-6-16(5,7-2)17-12-14-8-10-15(11-9-14)13(3)4/h8-11,13,17H,6-7,12H2,1-5H3
InChIKeyOLHKLTIABBQOQX-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.48
Rot. Bonds6

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

3-methyl-N-[(4-propan-2-ylphenyl)methyl]pentan-3-amine (PubChem CID 106328140) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 3-methyl-N-[(4-propan-2-ylphenyl)methyl]pentan-3-amine.

Molecular Properties

Compound Name3-methyl-N-[(4-propan-2-ylphenyl)methyl]pentan-3-amine
PubChem CID106328140
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name3-methyl-N-[(4-propan-2-ylphenyl)methyl]pentan-3-amine
SMILESCCC(C)(CC)NCc1ccc(C(C)C)cc1
InChIInChI=1S/C16H27N/c1-6-16(5,7-2)17-12-14-8-10-15(11-9-14)13(3)4/h8-11,13,17H,6-7,12H2,1-5H3
InChIKeyOLHKLTIABBQOQX-UHFFFAOYSA-N
XLogP4.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyl-N-[(4-propan-2-ylphenyl)methyl]pentan-3-amine
CID 65039298
1-chloro-2-(chloromethyl)-N-[(4-propan-2-ylphenyl)methyl]butan-2-amine
CID 107867136
2-methyl-2-N-[(4-propan-2-ylphenyl)methyl]propane-1,2-diamine
CID 115131859
2-[[4-(difluoromethyl)phenyl]methylamino]-2-methylbutan-1-ol
CID 115524024
[4-[(3-methylpentan-3-ylamino)methyl]phenyl]methanol
CID 103947270
N-[(4-iodophenyl)methyl]-3-methylpentan-3-amine
CID 106328638
N-[(2-methylpropan-2-yl)oxy]-1-(4-propan-2-ylphenyl)methanamine
CID 82719677
N-[(4-propan-2-ylphenyl)methyl]ethanamine;hydrochloride
CID 17331855
N-[(4-propan-2-ylphenyl)methyl]butan-2-amine
CID 4723370
3-methyl-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pentan-3-amine
CID 106327870
2-methyl-N-[(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 4725253
4-[[(4-propan-2-ylphenyl)methylamino]methyl]aniline
CID 115212458

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(4-propan-2-ylphenyl)methyl]pentan-3-amine?
The IUPAC name of 3-methyl-N-[(4-propan-2-ylphenyl)methyl]pentan-3-amine (CID 106328140) is 3-methyl-N-[(4-propan-2-ylphenyl)methyl]pentan-3-amine.
What is the SMILES notation for 3-methyl-N-[(4-propan-2-ylphenyl)methyl]pentan-3-amine?
The canonical SMILES for 3-methyl-N-[(4-propan-2-ylphenyl)methyl]pentan-3-amine is CCC(C)(CC)NCc1ccc(C(C)C)cc1.
What is the InChIKey of 3-methyl-N-[(4-propan-2-ylphenyl)methyl]pentan-3-amine?
The InChIKey is OLHKLTIABBQOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-6-16(5,7-2)17-12-14-8-10-15(11-9-14)13(3)4/h8-11,13,17H,6-7,12H2,1-5H3.
What are the key properties of 3-methyl-N-[(4-propan-2-ylphenyl)methyl]pentan-3-amine?
3-methyl-N-[(4-propan-2-ylphenyl)methyl]pentan-3-amine has a molecular weight of 233.40 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(4-propan-2-ylphenyl)methyl]pentan-3-amine is sourced from PubChem (CID 106328140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).