(1Z)-2-[amino(methyl)amino]-3-cyclohexylbuta-1,3-dien-1-amine

C11H21N3 — CID 138637145

IUPAC(1Z)-2-[amino(methyl)amino]-3-cyclohexylbuta-1,3-dien-1-amine
SMILESC=C(/C(=C/N)N(C)N)C1CCCCC1
InChIInChI=1S/C11H21N3/c1-9(11(8-12)14(2)13)10-6-4-3-5-7-10/h8,10H,1,3-7,12-13H2,2H3/b11-8-
InChIKeyADZSVJXRIKPABG-FLIBITNWSA-N
MW195.31 g/mol
LogP1.73
Rot. Bonds3

About (1Z)-2-[amino(methyl)amino]-3-cyclohexylbuta-1,3-dien-1-amine

(1Z)-2-[amino(methyl)amino]-3-cyclohexylbuta-1,3-dien-1-amine (PubChem CID 138637145) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is (1Z)-2-[amino(methyl)amino]-3-cyclohexylbuta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z)-2-[amino(methyl)amino]-3-cyclohexylbuta-1,3-dien-1-amine
PubChem CID138637145
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name(1Z)-2-[amino(methyl)amino]-3-cyclohexylbuta-1,3-dien-1-amine
SMILESC=C(/C(=C/N)N(C)N)C1CCCCC1
InChIInChI=1S/C11H21N3/c1-9(11(8-12)14(2)13)10-6-4-3-5-7-10/h8,10H,1,3-7,12-13H2,2H3/b11-8-
InChIKeyADZSVJXRIKPABG-FLIBITNWSA-N
XLogP1.73
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.73
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1Z)-2-[amino(methyl)amino]-3-cyclohexylbuta-1,3-dien-1-amine?
The IUPAC name of (1Z)-2-[amino(methyl)amino]-3-cyclohexylbuta-1,3-dien-1-amine (CID 138637145) is (1Z)-2-[amino(methyl)amino]-3-cyclohexylbuta-1,3-dien-1-amine.
What is the SMILES notation for (1Z)-2-[amino(methyl)amino]-3-cyclohexylbuta-1,3-dien-1-amine?
The canonical SMILES for (1Z)-2-[amino(methyl)amino]-3-cyclohexylbuta-1,3-dien-1-amine is C=C(/C(=C/N)N(C)N)C1CCCCC1.
What is the InChIKey of (1Z)-2-[amino(methyl)amino]-3-cyclohexylbuta-1,3-dien-1-amine?
The InChIKey is ADZSVJXRIKPABG-FLIBITNWSA-N. The full InChI is InChI=1S/C11H21N3/c1-9(11(8-12)14(2)13)10-6-4-3-5-7-10/h8,10H,1,3-7,12-13H2,2H3/b11-8-.
What are the key properties of (1Z)-2-[amino(methyl)amino]-3-cyclohexylbuta-1,3-dien-1-amine?
(1Z)-2-[amino(methyl)amino]-3-cyclohexylbuta-1,3-dien-1-amine has a molecular weight of 195.31 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-[amino(methyl)amino]-3-cyclohexylbuta-1,3-dien-1-amine is sourced from PubChem (CID 138637145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).