2,2-dimethyl-N-(2-methylpropyl)propan-1-amine

C9H21N — CID 21481394

IUPAC2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
SMILESCC(C)CNCC(C)(C)C
InChIInChI=1S/C9H21N/c1-8(2)6-10-7-9(3,4)5/h8,10H,6-7H2,1-5H3
InChIKeyQSJJIBZBFOFKES-UHFFFAOYSA-N
MW143.27 g/mol
LogP2.28
Rot. Bonds3

About 2,2-dimethyl-N-(2-methylpropyl)propan-1-amine

2,2-dimethyl-N-(2-methylpropyl)propan-1-amine (PubChem CID 21481394) has the molecular formula C9H21N and a molecular weight of 143.27 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-methylpropyl)propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
PubChem CID21481394
Molecular FormulaC9H21N
Molecular Weight143.27 g/mol
Exact Mass143.17
IUPAC Name2,2-dimethyl-N-(2-methylpropyl)propan-1-amine
SMILESCC(C)CNCC(C)(C)C
InChIInChI=1S/C9H21N/c1-8(2)6-10-7-9(3,4)5/h8,10H,6-7H2,1-5H3
InChIKeyQSJJIBZBFOFKES-UHFFFAOYSA-N
XLogP2.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.27
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2-methylpropyl)propan-1-amine?
The IUPAC name of 2,2-dimethyl-N-(2-methylpropyl)propan-1-amine (CID 21481394) is 2,2-dimethyl-N-(2-methylpropyl)propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-(2-methylpropyl)propan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-(2-methylpropyl)propan-1-amine is CC(C)CNCC(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-(2-methylpropyl)propan-1-amine?
The InChIKey is QSJJIBZBFOFKES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N/c1-8(2)6-10-7-9(3,4)5/h8,10H,6-7H2,1-5H3.
What are the key properties of 2,2-dimethyl-N-(2-methylpropyl)propan-1-amine?
2,2-dimethyl-N-(2-methylpropyl)propan-1-amine has a molecular weight of 143.27 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2-methylpropyl)propan-1-amine is sourced from PubChem (CID 21481394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).