3,3-dimethylpentan-1-amine

C7H17N — CID 19026794

IUPAC3,3-dimethylpentan-1-amine
SMILESCCC(C)(C)CCN
InChIInChI=1S/C7H17N/c1-4-7(2,3)5-6-8/h4-6,8H2,1-3H3
InChIKeyVJYYSQMXJLHCDL-UHFFFAOYSA-N
MW115.22 g/mol
LogP1.77
Rot. Bonds3

About 3,3-dimethylpentan-1-amine

3,3-dimethylpentan-1-amine (PubChem CID 19026794) has the molecular formula C7H17N and a molecular weight of 115.22 g/mol. Its IUPAC name is 3,3-dimethylpentan-1-amine.

Molecular Properties

Compound Name3,3-dimethylpentan-1-amine
PubChem CID19026794
Molecular FormulaC7H17N
Molecular Weight115.22 g/mol
Exact Mass115.14
IUPAC Name3,3-dimethylpentan-1-amine
SMILESCCC(C)(C)CCN
InChIInChI=1S/C7H17N/c1-4-7(2,3)5-6-8/h4-6,8H2,1-3H3
InChIKeyVJYYSQMXJLHCDL-UHFFFAOYSA-N
XLogP1.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.22
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylpentan-1-amine?
The IUPAC name of 3,3-dimethylpentan-1-amine (CID 19026794) is 3,3-dimethylpentan-1-amine.
What is the SMILES notation for 3,3-dimethylpentan-1-amine?
The canonical SMILES for 3,3-dimethylpentan-1-amine is CCC(C)(C)CCN.
What is the InChIKey of 3,3-dimethylpentan-1-amine?
The InChIKey is VJYYSQMXJLHCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N/c1-4-7(2,3)5-6-8/h4-6,8H2,1-3H3.
What are the key properties of 3,3-dimethylpentan-1-amine?
3,3-dimethylpentan-1-amine has a molecular weight of 115.22 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylpentan-1-amine is sourced from PubChem (CID 19026794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).