4-(iminomethylideneamino)-1-N,1-N-dimethylpentane-1,3-diamine

C8H18N4 — CID 87263250

IUPAC4-(iminomethylideneamino)-1-N,1-N-dimethylpentane-1,3-diamine
SMILESCC(N=C=N)C(N)CCN(C)C
InChIInChI=1S/C8H18N4/c1-7(11-6-9)8(10)4-5-12(2)3/h7-9H,4-5,10H2,1-3H3
InChIKeyBQRAPYYYYFSKQF-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.41
Rot. Bonds5

About 4-(iminomethylideneamino)-1-N,1-N-dimethylpentane-1,3-diamine

4-(iminomethylideneamino)-1-N,1-N-dimethylpentane-1,3-diamine (PubChem CID 87263250) has the molecular formula C8H18N4 and a molecular weight of 170.26 g/mol. Its IUPAC name is 4-(iminomethylideneamino)-1-N,1-N-dimethylpentane-1,3-diamine.

Molecular Properties

Compound Name4-(iminomethylideneamino)-1-N,1-N-dimethylpentane-1,3-diamine
PubChem CID87263250
Molecular FormulaC8H18N4
Molecular Weight170.26 g/mol
Exact Mass170.15
IUPAC Name4-(iminomethylideneamino)-1-N,1-N-dimethylpentane-1,3-diamine
SMILESCC(N=C=N)C(N)CCN(C)C
InChIInChI=1S/C8H18N4/c1-7(11-6-9)8(10)4-5-12(2)3/h7-9H,4-5,10H2,1-3H3
InChIKeyBQRAPYYYYFSKQF-UHFFFAOYSA-N
XLogP0.41
TPSA65.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 4-(iminomethylideneamino)-1-N,1-N-dimethylpentane-1,3-diamine?
The IUPAC name of 4-(iminomethylideneamino)-1-N,1-N-dimethylpentane-1,3-diamine (CID 87263250) is 4-(iminomethylideneamino)-1-N,1-N-dimethylpentane-1,3-diamine.
What is the SMILES notation for 4-(iminomethylideneamino)-1-N,1-N-dimethylpentane-1,3-diamine?
The canonical SMILES for 4-(iminomethylideneamino)-1-N,1-N-dimethylpentane-1,3-diamine is CC(N=C=N)C(N)CCN(C)C.
What is the InChIKey of 4-(iminomethylideneamino)-1-N,1-N-dimethylpentane-1,3-diamine?
The InChIKey is BQRAPYYYYFSKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4/c1-7(11-6-9)8(10)4-5-12(2)3/h7-9H,4-5,10H2,1-3H3.
What are the key properties of 4-(iminomethylideneamino)-1-N,1-N-dimethylpentane-1,3-diamine?
4-(iminomethylideneamino)-1-N,1-N-dimethylpentane-1,3-diamine has a molecular weight of 170.26 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(iminomethylideneamino)-1-N,1-N-dimethylpentane-1,3-diamine is sourced from PubChem (CID 87263250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).