(Z)-1-[amino(1-cyclohexylprop-2-enyl)amino]prop-1-en-2-amine

C12H23N3 — CID 170582604

IUPAC(Z)-1-[amino(1-cyclohexylprop-2-enyl)amino]prop-1-en-2-amine
SMILESC=CC(C1CCCCC1)N(N)/C=C(/C)N
InChIInChI=1S/C12H23N3/c1-3-12(15(14)9-10(2)13)11-7-5-4-6-8-11/h3,9,11-12H,1,4-8,13-14H2,2H3/b10-9-
InChIKeyZEHWJIXUHQFQLB-KTKRTIGZSA-N
MW209.34 g/mol
LogP2.12
Rot. Bonds4

About (Z)-1-[amino(1-cyclohexylprop-2-enyl)amino]prop-1-en-2-amine

(Z)-1-[amino(1-cyclohexylprop-2-enyl)amino]prop-1-en-2-amine (PubChem CID 170582604) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is (Z)-1-[amino(1-cyclohexylprop-2-enyl)amino]prop-1-en-2-amine.

Molecular Properties

Compound Name(Z)-1-[amino(1-cyclohexylprop-2-enyl)amino]prop-1-en-2-amine
PubChem CID170582604
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name(Z)-1-[amino(1-cyclohexylprop-2-enyl)amino]prop-1-en-2-amine
SMILESC=CC(C1CCCCC1)N(N)/C=C(/C)N
InChIInChI=1S/C12H23N3/c1-3-12(15(14)9-10(2)13)11-7-5-4-6-8-11/h3,9,11-12H,1,4-8,13-14H2,2H3/b10-9-
InChIKeyZEHWJIXUHQFQLB-KTKRTIGZSA-N
XLogP2.12
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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(1-cyclohexylprop-2-enyl)amino]prop-1-en-2-amine?
The IUPAC name of (Z)-1-[amino(1-cyclohexylprop-2-enyl)amino]prop-1-en-2-amine (CID 170582604) is (Z)-1-[amino(1-cyclohexylprop-2-enyl)amino]prop-1-en-2-amine.
What is the SMILES notation for (Z)-1-[amino(1-cyclohexylprop-2-enyl)amino]prop-1-en-2-amine?
The canonical SMILES for (Z)-1-[amino(1-cyclohexylprop-2-enyl)amino]prop-1-en-2-amine is C=CC(C1CCCCC1)N(N)/C=C(/C)N.
What is the InChIKey of (Z)-1-[amino(1-cyclohexylprop-2-enyl)amino]prop-1-en-2-amine?
The InChIKey is ZEHWJIXUHQFQLB-KTKRTIGZSA-N. The full InChI is InChI=1S/C12H23N3/c1-3-12(15(14)9-10(2)13)11-7-5-4-6-8-11/h3,9,11-12H,1,4-8,13-14H2,2H3/b10-9-.
What are the key properties of (Z)-1-[amino(1-cyclohexylprop-2-enyl)amino]prop-1-en-2-amine?
(Z)-1-[amino(1-cyclohexylprop-2-enyl)amino]prop-1-en-2-amine has a molecular weight of 209.34 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[amino(1-cyclohexylprop-2-enyl)amino]prop-1-en-2-amine is sourced from PubChem (CID 170582604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).