3-imino-N-propan-2-ylbutan-1-amine

C7H16N2 — CID 176923530

IUPAC3-imino-N-propan-2-ylbutan-1-amine
SMILES[H]/N=C(\C)CCNC(C)C
InChIInChI=1S/C7H16N2/c1-6(2)9-5-4-7(3)8/h6,8-9H,4-5H2,1-3H3/b8-7+
InChIKeyBTJDRZVOVFKSOS-BQYQJAHWSA-N
MW128.22 g/mol
LogP1.41
Rot. Bonds4

About 3-imino-N-propan-2-ylbutan-1-amine

3-imino-N-propan-2-ylbutan-1-amine (PubChem CID 176923530) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is 3-imino-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name3-imino-N-propan-2-ylbutan-1-amine
PubChem CID176923530
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name3-imino-N-propan-2-ylbutan-1-amine
SMILES[H]/N=C(\C)CCNC(C)C
InChIInChI=1S/C7H16N2/c1-6(2)9-5-4-7(3)8/h6,8-9H,4-5H2,1-3H3/b8-7+
InChIKeyBTJDRZVOVFKSOS-BQYQJAHWSA-N
XLogP1.41
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 51.41
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-N-propan-2-ylbutan-1-amine?
The IUPAC name of 3-imino-N-propan-2-ylbutan-1-amine (CID 176923530) is 3-imino-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 3-imino-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 3-imino-N-propan-2-ylbutan-1-amine is [H]/N=C(\C)CCNC(C)C.
What is the InChIKey of 3-imino-N-propan-2-ylbutan-1-amine?
The InChIKey is BTJDRZVOVFKSOS-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H16N2/c1-6(2)9-5-4-7(3)8/h6,8-9H,4-5H2,1-3H3/b8-7+.
What are the key properties of 3-imino-N-propan-2-ylbutan-1-amine?
3-imino-N-propan-2-ylbutan-1-amine has a molecular weight of 128.22 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 176923530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).