N-butyl-N,2-dimethyl-2-(2-methylphenyl)butan-1-amine

C17H29N — CID 91317814

IUPACN-butyl-N,2-dimethyl-2-(2-methylphenyl)butan-1-amine
SMILESCCCCN(C)CC(C)(CC)c1ccccc1C
InChIInChI=1S/C17H29N/c1-6-8-13-18(5)14-17(4,7-2)16-12-10-9-11-15(16)3/h9-12H,6-8,13-14H2,1-5H3
InChIKeyQWLOJNSOEGFDCK-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.39
Rot. Bonds7

About N-butyl-N,2-dimethyl-2-(2-methylphenyl)butan-1-amine

N-butyl-N,2-dimethyl-2-(2-methylphenyl)butan-1-amine (PubChem CID 91317814) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is N-butyl-N,2-dimethyl-2-(2-methylphenyl)butan-1-amine.

Molecular Properties

Compound NameN-butyl-N,2-dimethyl-2-(2-methylphenyl)butan-1-amine
PubChem CID91317814
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC NameN-butyl-N,2-dimethyl-2-(2-methylphenyl)butan-1-amine
SMILESCCCCN(C)CC(C)(CC)c1ccccc1C
InChIInChI=1S/C17H29N/c1-6-8-13-18(5)14-17(4,7-2)16-12-10-9-11-15(16)3/h9-12H,6-8,13-14H2,1-5H3
InChIKeyQWLOJNSOEGFDCK-UHFFFAOYSA-N
XLogP4.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N,2-dimethyl-2-(2-methylphenyl)butan-1-amine?
The IUPAC name of N-butyl-N,2-dimethyl-2-(2-methylphenyl)butan-1-amine (CID 91317814) is N-butyl-N,2-dimethyl-2-(2-methylphenyl)butan-1-amine.
What is the SMILES notation for N-butyl-N,2-dimethyl-2-(2-methylphenyl)butan-1-amine?
The canonical SMILES for N-butyl-N,2-dimethyl-2-(2-methylphenyl)butan-1-amine is CCCCN(C)CC(C)(CC)c1ccccc1C.
What is the InChIKey of N-butyl-N,2-dimethyl-2-(2-methylphenyl)butan-1-amine?
The InChIKey is QWLOJNSOEGFDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-6-8-13-18(5)14-17(4,7-2)16-12-10-9-11-15(16)3/h9-12H,6-8,13-14H2,1-5H3.
What are the key properties of N-butyl-N,2-dimethyl-2-(2-methylphenyl)butan-1-amine?
N-butyl-N,2-dimethyl-2-(2-methylphenyl)butan-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.39, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N,2-dimethyl-2-(2-methylphenyl)butan-1-amine is sourced from PubChem (CID 91317814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).