2,3-diimino-N,N-dimethylpentan-1-amine

C7H15N3 — CID 88780504

IUPAC2,3-diimino-N,N-dimethylpentan-1-amine
SMILES[H]/N=C(CC)/C(CN(C)C)=N/[H]
InChIInChI=1S/C7H15N3/c1-4-6(8)7(9)5-10(2)3/h8-9H,4-5H2,1-3H3/b8-6+,9-7+
InChIKeyBMFARCBZVDYAGT-CDJQDVQCSA-N
MW141.22 g/mol
LogP1.00
Rot. Bonds4

About 2,3-diimino-N,N-dimethylpentan-1-amine

2,3-diimino-N,N-dimethylpentan-1-amine (PubChem CID 88780504) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is 2,3-diimino-N,N-dimethylpentan-1-amine.

Molecular Properties

Compound Name2,3-diimino-N,N-dimethylpentan-1-amine
PubChem CID88780504
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC Name2,3-diimino-N,N-dimethylpentan-1-amine
SMILES[H]/N=C(CC)/C(CN(C)C)=N/[H]
InChIInChI=1S/C7H15N3/c1-4-6(8)7(9)5-10(2)3/h8-9H,4-5H2,1-3H3/b8-6+,9-7+
InChIKeyBMFARCBZVDYAGT-CDJQDVQCSA-N
XLogP1.00
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-diimino-N,N-dimethylpentan-1-amine?
The IUPAC name of 2,3-diimino-N,N-dimethylpentan-1-amine (CID 88780504) is 2,3-diimino-N,N-dimethylpentan-1-amine.
What is the SMILES notation for 2,3-diimino-N,N-dimethylpentan-1-amine?
The canonical SMILES for 2,3-diimino-N,N-dimethylpentan-1-amine is [H]/N=C(CC)/C(CN(C)C)=N/[H].
What is the InChIKey of 2,3-diimino-N,N-dimethylpentan-1-amine?
The InChIKey is BMFARCBZVDYAGT-CDJQDVQCSA-N. The full InChI is InChI=1S/C7H15N3/c1-4-6(8)7(9)5-10(2)3/h8-9H,4-5H2,1-3H3/b8-6+,9-7+.
What are the key properties of 2,3-diimino-N,N-dimethylpentan-1-amine?
2,3-diimino-N,N-dimethylpentan-1-amine has a molecular weight of 141.22 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diimino-N,N-dimethylpentan-1-amine is sourced from PubChem (CID 88780504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).