(Z)-3-[amino(methyl)amino]hept-3-en-4-amine

C8H19N3 — CID 167025945

IUPAC(Z)-3-[amino(methyl)amino]hept-3-en-4-amine
SMILESCCC/C(N)=C(\CC)N(C)N
InChIInChI=1S/C8H19N3/c1-4-6-7(9)8(5-2)11(3)10/h4-6,9-10H2,1-3H3/b8-7-
InChIKeyDYNQZXCJXFNXCM-FPLPWBNLSA-N
MW157.26 g/mol
LogP1.17
Rot. Bonds4

About (Z)-3-[amino(methyl)amino]hept-3-en-4-amine

(Z)-3-[amino(methyl)amino]hept-3-en-4-amine (PubChem CID 167025945) has the molecular formula C8H19N3 and a molecular weight of 157.26 g/mol. Its IUPAC name is (Z)-3-[amino(methyl)amino]hept-3-en-4-amine.

Molecular Properties

Compound Name(Z)-3-[amino(methyl)amino]hept-3-en-4-amine
PubChem CID167025945
Molecular FormulaC8H19N3
Molecular Weight157.26 g/mol
Exact Mass157.16
IUPAC Name(Z)-3-[amino(methyl)amino]hept-3-en-4-amine
SMILESCCC/C(N)=C(\CC)N(C)N
InChIInChI=1S/C8H19N3/c1-4-6-7(9)8(5-2)11(3)10/h4-6,9-10H2,1-3H3/b8-7-
InChIKeyDYNQZXCJXFNXCM-FPLPWBNLSA-N
XLogP1.17
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-[amino(methyl)amino]hept-3-en-4-amine?
The IUPAC name of (Z)-3-[amino(methyl)amino]hept-3-en-4-amine (CID 167025945) is (Z)-3-[amino(methyl)amino]hept-3-en-4-amine.
What is the SMILES notation for (Z)-3-[amino(methyl)amino]hept-3-en-4-amine?
The canonical SMILES for (Z)-3-[amino(methyl)amino]hept-3-en-4-amine is CCC/C(N)=C(\CC)N(C)N.
What is the InChIKey of (Z)-3-[amino(methyl)amino]hept-3-en-4-amine?
The InChIKey is DYNQZXCJXFNXCM-FPLPWBNLSA-N. The full InChI is InChI=1S/C8H19N3/c1-4-6-7(9)8(5-2)11(3)10/h4-6,9-10H2,1-3H3/b8-7-.
What are the key properties of (Z)-3-[amino(methyl)amino]hept-3-en-4-amine?
(Z)-3-[amino(methyl)amino]hept-3-en-4-amine has a molecular weight of 157.26 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[amino(methyl)amino]hept-3-en-4-amine is sourced from PubChem (CID 167025945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).