4-[(3-amino-2-methylbut-2-enylidene)amino]cyclohexan-1-amine

C11H21N3 — CID 148869629

IUPAC4-[(3-amino-2-methylbut-2-enylidene)amino]cyclohexan-1-amine
SMILESCC(N)=C(C)/C=N/C1CCC(N)CC1
InChIInChI=1S/C11H21N3/c1-8(9(2)12)7-14-11-5-3-10(13)4-6-11/h7,10-11H,3-6,12-13H2,1-2H3/b9-8?,14-7+
InChIKeyMPLXTKDRJJZSLP-FSYQWGOQSA-N
MW195.31 g/mol
LogP1.58
Rot. Bonds2

About 4-[(3-amino-2-methylbut-2-enylidene)amino]cyclohexan-1-amine

4-[(3-amino-2-methylbut-2-enylidene)amino]cyclohexan-1-amine (PubChem CID 148869629) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 4-[(3-amino-2-methylbut-2-enylidene)amino]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[(3-amino-2-methylbut-2-enylidene)amino]cyclohexan-1-amine
PubChem CID148869629
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name4-[(3-amino-2-methylbut-2-enylidene)amino]cyclohexan-1-amine
SMILESCC(N)=C(C)/C=N/C1CCC(N)CC1
InChIInChI=1S/C11H21N3/c1-8(9(2)12)7-14-11-5-3-10(13)4-6-11/h7,10-11H,3-6,12-13H2,1-2H3/b9-8?,14-7+
InChIKeyMPLXTKDRJJZSLP-FSYQWGOQSA-N
XLogP1.58
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-2-methylbut-2-enylidene)amino]cyclohexan-1-amine?
The IUPAC name of 4-[(3-amino-2-methylbut-2-enylidene)amino]cyclohexan-1-amine (CID 148869629) is 4-[(3-amino-2-methylbut-2-enylidene)amino]cyclohexan-1-amine.
What is the SMILES notation for 4-[(3-amino-2-methylbut-2-enylidene)amino]cyclohexan-1-amine?
The canonical SMILES for 4-[(3-amino-2-methylbut-2-enylidene)amino]cyclohexan-1-amine is CC(N)=C(C)/C=N/C1CCC(N)CC1.
What is the InChIKey of 4-[(3-amino-2-methylbut-2-enylidene)amino]cyclohexan-1-amine?
The InChIKey is MPLXTKDRJJZSLP-FSYQWGOQSA-N. The full InChI is InChI=1S/C11H21N3/c1-8(9(2)12)7-14-11-5-3-10(13)4-6-11/h7,10-11H,3-6,12-13H2,1-2H3/b9-8?,14-7+.
What are the key properties of 4-[(3-amino-2-methylbut-2-enylidene)amino]cyclohexan-1-amine?
4-[(3-amino-2-methylbut-2-enylidene)amino]cyclohexan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-2-methylbut-2-enylidene)amino]cyclohexan-1-amine is sourced from PubChem (CID 148869629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).