(Z)-1-[amino(butyl)amino]-3-[(2-methylpropan-2-yl)oxy]prop-1-en-2-amine

C11H25N3O — CID 170272509

IUPAC(Z)-1-[amino(butyl)amino]-3-[(2-methylpropan-2-yl)oxy]prop-1-en-2-amine
SMILESCCCCN(N)/C=C(\N)COC(C)(C)C
InChIInChI=1S/C11H25N3O/c1-5-6-7-14(13)8-10(12)9-15-11(2,3)4/h8H,5-7,9,12-13H2,1-4H3/b10-8-
InChIKeyVSHJHODHLKXOFM-NTMALXAHSA-N
MW215.34 g/mol
LogP1.58
Rot. Bonds6

About (Z)-1-[amino(butyl)amino]-3-[(2-methylpropan-2-yl)oxy]prop-1-en-2-amine

(Z)-1-[amino(butyl)amino]-3-[(2-methylpropan-2-yl)oxy]prop-1-en-2-amine (PubChem CID 170272509) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is (Z)-1-[amino(butyl)amino]-3-[(2-methylpropan-2-yl)oxy]prop-1-en-2-amine.

Molecular Properties

Compound Name(Z)-1-[amino(butyl)amino]-3-[(2-methylpropan-2-yl)oxy]prop-1-en-2-amine
PubChem CID170272509
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name(Z)-1-[amino(butyl)amino]-3-[(2-methylpropan-2-yl)oxy]prop-1-en-2-amine
SMILESCCCCN(N)/C=C(\N)COC(C)(C)C
InChIInChI=1S/C11H25N3O/c1-5-6-7-14(13)8-10(12)9-15-11(2,3)4/h8H,5-7,9,12-13H2,1-4H3/b10-8-
InChIKeyVSHJHODHLKXOFM-NTMALXAHSA-N
XLogP1.58
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-1-[amino(butyl)amino]-3-[(2-methylpropan-2-yl)oxy]prop-1-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[amino(butyl)amino]-3-[(2-methylpropan-2-yl)oxy]prop-1-en-2-amine?
The IUPAC name of (Z)-1-[amino(butyl)amino]-3-[(2-methylpropan-2-yl)oxy]prop-1-en-2-amine (CID 170272509) is (Z)-1-[amino(butyl)amino]-3-[(2-methylpropan-2-yl)oxy]prop-1-en-2-amine.
What is the SMILES notation for (Z)-1-[amino(butyl)amino]-3-[(2-methylpropan-2-yl)oxy]prop-1-en-2-amine?
The canonical SMILES for (Z)-1-[amino(butyl)amino]-3-[(2-methylpropan-2-yl)oxy]prop-1-en-2-amine is CCCCN(N)/C=C(\N)COC(C)(C)C.
What is the InChIKey of (Z)-1-[amino(butyl)amino]-3-[(2-methylpropan-2-yl)oxy]prop-1-en-2-amine?
The InChIKey is VSHJHODHLKXOFM-NTMALXAHSA-N. The full InChI is InChI=1S/C11H25N3O/c1-5-6-7-14(13)8-10(12)9-15-11(2,3)4/h8H,5-7,9,12-13H2,1-4H3/b10-8-.
What are the key properties of (Z)-1-[amino(butyl)amino]-3-[(2-methylpropan-2-yl)oxy]prop-1-en-2-amine?
(Z)-1-[amino(butyl)amino]-3-[(2-methylpropan-2-yl)oxy]prop-1-en-2-amine has a molecular weight of 215.34 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[amino(butyl)amino]-3-[(2-methylpropan-2-yl)oxy]prop-1-en-2-amine is sourced from PubChem (CID 170272509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).