3,3-dimethyl-N-(2-methylpropyl)butan-1-amine

C10H23N — CID 21304891

IUPAC3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCCC(C)(C)C
InChIInChI=1S/C10H23N/c1-9(2)8-11-7-6-10(3,4)5/h9,11H,6-8H2,1-5H3
InChIKeyPHFDDPOXFFKOTK-UHFFFAOYSA-N
MW157.30 g/mol
LogP2.67
Rot. Bonds4

About 3,3-dimethyl-N-(2-methylpropyl)butan-1-amine

3,3-dimethyl-N-(2-methylpropyl)butan-1-amine (PubChem CID 21304891) has the molecular formula C10H23N and a molecular weight of 157.30 g/mol. Its IUPAC name is 3,3-dimethyl-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
PubChem CID21304891
Molecular FormulaC10H23N
Molecular Weight157.30 g/mol
Exact Mass157.18
IUPAC Name3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
SMILESCC(C)CNCCC(C)(C)C
InChIInChI=1S/C10H23N/c1-9(2)8-11-7-6-10(3,4)5/h9,11H,6-8H2,1-5H3
InChIKeyPHFDDPOXFFKOTK-UHFFFAOYSA-N
XLogP2.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 3,3-dimethyl-N-(2-methylpropyl)butan-1-amine (CID 21304891) is 3,3-dimethyl-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-(2-methylpropyl)butan-1-amine is CC(C)CNCCC(C)(C)C.
What is the InChIKey of 3,3-dimethyl-N-(2-methylpropyl)butan-1-amine?
The InChIKey is PHFDDPOXFFKOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N/c1-9(2)8-11-7-6-10(3,4)5/h9,11H,6-8H2,1-5H3.
What are the key properties of 3,3-dimethyl-N-(2-methylpropyl)butan-1-amine?
3,3-dimethyl-N-(2-methylpropyl)butan-1-amine has a molecular weight of 157.30 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 21304891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).