3,3-dimethyl-N-(3-methylbutyl)butan-1-amine

C11H25N — CID 21304892

IUPAC3,3-dimethyl-N-(3-methylbutyl)butan-1-amine
SMILESCC(C)CCNCCC(C)(C)C
InChIInChI=1S/C11H25N/c1-10(2)6-8-12-9-7-11(3,4)5/h10,12H,6-9H2,1-5H3
InChIKeyGVYVZBBIUNCVMC-UHFFFAOYSA-N
MW171.33 g/mol
LogP3.06
Rot. Bonds5

About 3,3-dimethyl-N-(3-methylbutyl)butan-1-amine

3,3-dimethyl-N-(3-methylbutyl)butan-1-amine (PubChem CID 21304892) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is 3,3-dimethyl-N-(3-methylbutyl)butan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-(3-methylbutyl)butan-1-amine
PubChem CID21304892
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC Name3,3-dimethyl-N-(3-methylbutyl)butan-1-amine
SMILESCC(C)CCNCCC(C)(C)C
InChIInChI=1S/C11H25N/c1-10(2)6-8-12-9-7-11(3,4)5/h10,12H,6-9H2,1-5H3
InChIKeyGVYVZBBIUNCVMC-UHFFFAOYSA-N
XLogP3.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.33
LogP ≤ 53.06
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-(3-methylbutyl)butan-1-amine?
The IUPAC name of 3,3-dimethyl-N-(3-methylbutyl)butan-1-amine (CID 21304892) is 3,3-dimethyl-N-(3-methylbutyl)butan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-(3-methylbutyl)butan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-(3-methylbutyl)butan-1-amine is CC(C)CCNCCC(C)(C)C.
What is the InChIKey of 3,3-dimethyl-N-(3-methylbutyl)butan-1-amine?
The InChIKey is GVYVZBBIUNCVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N/c1-10(2)6-8-12-9-7-11(3,4)5/h10,12H,6-9H2,1-5H3.
What are the key properties of 3,3-dimethyl-N-(3-methylbutyl)butan-1-amine?
3,3-dimethyl-N-(3-methylbutyl)butan-1-amine has a molecular weight of 171.33 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(3-methylbutyl)butan-1-amine is sourced from PubChem (CID 21304892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).