2,4-dimethyl-N,N-bis(2-methylpropyl)pentan-3-amine

C15H33N — CID 3016892

IUPAC2,4-dimethyl-N,N-bis(2-methylpropyl)pentan-3-amine
SMILESCC(C)CN(CC(C)C)C(C(C)C)C(C)C
InChIInChI=1S/C15H33N/c1-11(2)9-16(10-12(3)4)15(13(5)6)14(7)8/h11-15H,9-10H2,1-8H3
InChIKeyPGAQYUJUOZNEOE-UHFFFAOYSA-N
MW227.44 g/mol
LogP4.28
Rot. Bonds7

About 2,4-dimethyl-N,N-bis(2-methylpropyl)pentan-3-amine

2,4-dimethyl-N,N-bis(2-methylpropyl)pentan-3-amine (PubChem CID 3016892) has the molecular formula C15H33N and a molecular weight of 227.44 g/mol. Its IUPAC name is 2,4-dimethyl-N,N-bis(2-methylpropyl)pentan-3-amine.

Molecular Properties

Compound Name2,4-dimethyl-N,N-bis(2-methylpropyl)pentan-3-amine
PubChem CID3016892
Molecular FormulaC15H33N
Molecular Weight227.44 g/mol
Exact Mass227.26
IUPAC Name2,4-dimethyl-N,N-bis(2-methylpropyl)pentan-3-amine
SMILESCC(C)CN(CC(C)C)C(C(C)C)C(C)C
InChIInChI=1S/C15H33N/c1-11(2)9-16(10-12(3)4)15(13(5)6)14(7)8/h11-15H,9-10H2,1-8H3
InChIKeyPGAQYUJUOZNEOE-UHFFFAOYSA-N
XLogP4.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.44
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N,N-bis(2-methylpropyl)pentan-3-amine?
The IUPAC name of 2,4-dimethyl-N,N-bis(2-methylpropyl)pentan-3-amine (CID 3016892) is 2,4-dimethyl-N,N-bis(2-methylpropyl)pentan-3-amine.
What is the SMILES notation for 2,4-dimethyl-N,N-bis(2-methylpropyl)pentan-3-amine?
The canonical SMILES for 2,4-dimethyl-N,N-bis(2-methylpropyl)pentan-3-amine is CC(C)CN(CC(C)C)C(C(C)C)C(C)C.
What is the InChIKey of 2,4-dimethyl-N,N-bis(2-methylpropyl)pentan-3-amine?
The InChIKey is PGAQYUJUOZNEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N/c1-11(2)9-16(10-12(3)4)15(13(5)6)14(7)8/h11-15H,9-10H2,1-8H3.
What are the key properties of 2,4-dimethyl-N,N-bis(2-methylpropyl)pentan-3-amine?
2,4-dimethyl-N,N-bis(2-methylpropyl)pentan-3-amine has a molecular weight of 227.44 g/mol, XLogP of 4.28, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N,N-bis(2-methylpropyl)pentan-3-amine is sourced from PubChem (CID 3016892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).