3-imino-1-(3-methylpentan-2-ylideneamino)propan-1-amine

C9H19N3 — CID 123493033

IUPAC3-imino-1-(3-methylpentan-2-ylideneamino)propan-1-amine
SMILES[H]/N=C/CC(N)N=C(C)C(C)CC
InChIInChI=1S/C9H19N3/c1-4-7(2)8(3)12-9(11)5-6-10/h6-7,9-10H,4-5,11H2,1-3H3/b10-6+,12-8?
InChIKeyKPQJBWJYZKOCHM-KJMXECQHSA-N
MW169.27 g/mol
LogP1.82
Rot. Bonds5

About 3-imino-1-(3-methylpentan-2-ylideneamino)propan-1-amine

3-imino-1-(3-methylpentan-2-ylideneamino)propan-1-amine (PubChem CID 123493033) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-imino-1-(3-methylpentan-2-ylideneamino)propan-1-amine.

Molecular Properties

Compound Name3-imino-1-(3-methylpentan-2-ylideneamino)propan-1-amine
PubChem CID123493033
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name3-imino-1-(3-methylpentan-2-ylideneamino)propan-1-amine
SMILES[H]/N=C/CC(N)N=C(C)C(C)CC
InChIInChI=1S/C9H19N3/c1-4-7(2)8(3)12-9(11)5-6-10/h6-7,9-10H,4-5,11H2,1-3H3/b10-6+,12-8?
InChIKeyKPQJBWJYZKOCHM-KJMXECQHSA-N
XLogP1.82
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-1-(3-methylpentan-2-ylideneamino)propan-1-amine?
The IUPAC name of 3-imino-1-(3-methylpentan-2-ylideneamino)propan-1-amine (CID 123493033) is 3-imino-1-(3-methylpentan-2-ylideneamino)propan-1-amine.
What is the SMILES notation for 3-imino-1-(3-methylpentan-2-ylideneamino)propan-1-amine?
The canonical SMILES for 3-imino-1-(3-methylpentan-2-ylideneamino)propan-1-amine is [H]/N=C/CC(N)N=C(C)C(C)CC.
What is the InChIKey of 3-imino-1-(3-methylpentan-2-ylideneamino)propan-1-amine?
The InChIKey is KPQJBWJYZKOCHM-KJMXECQHSA-N. The full InChI is InChI=1S/C9H19N3/c1-4-7(2)8(3)12-9(11)5-6-10/h6-7,9-10H,4-5,11H2,1-3H3/b10-6+,12-8?.
What are the key properties of 3-imino-1-(3-methylpentan-2-ylideneamino)propan-1-amine?
3-imino-1-(3-methylpentan-2-ylideneamino)propan-1-amine has a molecular weight of 169.27 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-1-(3-methylpentan-2-ylideneamino)propan-1-amine is sourced from PubChem (CID 123493033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).