3-imino-2,2-dimethylpentan-1-amine

C7H16N2 — CID 123675801

IUPAC3-imino-2,2-dimethylpentan-1-amine
SMILES[H]/N=C(\CC)C(C)(C)CN
InChIInChI=1S/C7H16N2/c1-4-6(9)7(2,3)5-8/h9H,4-5,8H2,1-3H3/b9-6+
InChIKeyYCQPGZNRCCMZGB-RMKNXTFCSA-N
MW128.22 g/mol
LogP1.40
Rot. Bonds3

About 3-imino-2,2-dimethylpentan-1-amine

3-imino-2,2-dimethylpentan-1-amine (PubChem CID 123675801) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is 3-imino-2,2-dimethylpentan-1-amine.

Molecular Properties

Compound Name3-imino-2,2-dimethylpentan-1-amine
PubChem CID123675801
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name3-imino-2,2-dimethylpentan-1-amine
SMILES[H]/N=C(\CC)C(C)(C)CN
InChIInChI=1S/C7H16N2/c1-4-6(9)7(2,3)5-8/h9H,4-5,8H2,1-3H3/b9-6+
InChIKeyYCQPGZNRCCMZGB-RMKNXTFCSA-N
XLogP1.40
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-imino-2,2-dimethylpentan-1-amine?
The IUPAC name of 3-imino-2,2-dimethylpentan-1-amine (CID 123675801) is 3-imino-2,2-dimethylpentan-1-amine.
What is the SMILES notation for 3-imino-2,2-dimethylpentan-1-amine?
The canonical SMILES for 3-imino-2,2-dimethylpentan-1-amine is [H]/N=C(\CC)C(C)(C)CN.
What is the InChIKey of 3-imino-2,2-dimethylpentan-1-amine?
The InChIKey is YCQPGZNRCCMZGB-RMKNXTFCSA-N. The full InChI is InChI=1S/C7H16N2/c1-4-6(9)7(2,3)5-8/h9H,4-5,8H2,1-3H3/b9-6+.
What are the key properties of 3-imino-2,2-dimethylpentan-1-amine?
3-imino-2,2-dimethylpentan-1-amine has a molecular weight of 128.22 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-2,2-dimethylpentan-1-amine is sourced from PubChem (CID 123675801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).