(Z)-1-[amino(butyl)amino]but-1-en-2-amine

C8H19N3 — CID 130350767

IUPAC(Z)-1-[amino(butyl)amino]but-1-en-2-amine
SMILESCCCCN(N)/C=C(\N)CC
InChIInChI=1S/C8H19N3/c1-3-5-6-11(10)7-8(9)4-2/h7H,3-6,9-10H2,1-2H3/b8-7-
InChIKeyDZYIVWBRSORNRF-FPLPWBNLSA-N
MW157.26 g/mol
LogP1.17
Rot. Bonds5

About (Z)-1-[amino(butyl)amino]but-1-en-2-amine

(Z)-1-[amino(butyl)amino]but-1-en-2-amine (PubChem CID 130350767) has the molecular formula C8H19N3 and a molecular weight of 157.26 g/mol. Its IUPAC name is (Z)-1-[amino(butyl)amino]but-1-en-2-amine.

Molecular Properties

Compound Name(Z)-1-[amino(butyl)amino]but-1-en-2-amine
PubChem CID130350767
Molecular FormulaC8H19N3
Molecular Weight157.26 g/mol
Exact Mass157.16
IUPAC Name(Z)-1-[amino(butyl)amino]but-1-en-2-amine
SMILESCCCCN(N)/C=C(\N)CC
InChIInChI=1S/C8H19N3/c1-3-5-6-11(10)7-8(9)4-2/h7H,3-6,9-10H2,1-2H3/b8-7-
InChIKeyDZYIVWBRSORNRF-FPLPWBNLSA-N
XLogP1.17
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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)-1-[amino(butyl)amino]but-1-en-2-amine?
The IUPAC name of (Z)-1-[amino(butyl)amino]but-1-en-2-amine (CID 130350767) is (Z)-1-[amino(butyl)amino]but-1-en-2-amine.
What is the SMILES notation for (Z)-1-[amino(butyl)amino]but-1-en-2-amine?
The canonical SMILES for (Z)-1-[amino(butyl)amino]but-1-en-2-amine is CCCCN(N)/C=C(\N)CC.
What is the InChIKey of (Z)-1-[amino(butyl)amino]but-1-en-2-amine?
The InChIKey is DZYIVWBRSORNRF-FPLPWBNLSA-N. The full InChI is InChI=1S/C8H19N3/c1-3-5-6-11(10)7-8(9)4-2/h7H,3-6,9-10H2,1-2H3/b8-7-.
What are the key properties of (Z)-1-[amino(butyl)amino]but-1-en-2-amine?
(Z)-1-[amino(butyl)amino]but-1-en-2-amine has a molecular weight of 157.26 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[amino(butyl)amino]but-1-en-2-amine is sourced from PubChem (CID 130350767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).