cyclohexyl-[2-[(4-methylcyclohex-3-en-1-yl)amino]ethylidene]azanium

C15H27N2+ — CID 144552770

IUPACcyclohexyl-[2-[(4-methylcyclohex-3-en-1-yl)amino]ethylidene]azanium
SMILESCC1=CCC(NC/C=[NH+]/C2CCCCC2)CC1
InChIInChI=1S/C15H26N2/c1-13-7-9-15(10-8-13)17-12-11-16-14-5-3-2-4-6-14/h7,11,14-15,17H,2-6,8-10,12H2,1H3/p+1/b16-11+
InChIKeyUSSGDANGLGJTEN-LFIBNONCSA-O
MW235.39 g/mol
LogP1.56
Rot. Bonds4

About cyclohexyl-[2-[(4-methylcyclohex-3-en-1-yl)amino]ethylidene]azanium

cyclohexyl-[2-[(4-methylcyclohex-3-en-1-yl)amino]ethylidene]azanium (PubChem CID 144552770) has the molecular formula C15H27N2+ and a molecular weight of 235.39 g/mol. Its IUPAC name is cyclohexyl-[2-[(4-methylcyclohex-3-en-1-yl)amino]ethylidene]azanium.

Molecular Properties

Compound Namecyclohexyl-[2-[(4-methylcyclohex-3-en-1-yl)amino]ethylidene]azanium
PubChem CID144552770
Molecular FormulaC15H27N2+
Molecular Weight235.39 g/mol
Exact Mass235.22
IUPAC Namecyclohexyl-[2-[(4-methylcyclohex-3-en-1-yl)amino]ethylidene]azanium
SMILESCC1=CCC(NC/C=[NH+]/C2CCCCC2)CC1
InChIInChI=1S/C15H26N2/c1-13-7-9-15(10-8-13)17-12-11-16-14-5-3-2-4-6-14/h7,11,14-15,17H,2-6,8-10,12H2,1H3/p+1/b16-11+
InChIKeyUSSGDANGLGJTEN-LFIBNONCSA-O
XLogP1.56
TPSA26.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.39
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-ylimino)ethyl]cyclohexanamine
CID 54273635
N-propyl-6,7,8,8a-tetrahydroquinolin-7-amine
CID 57021708
1,2,3,4,6,8a-Hexahydro-1,7-naphthyridine
CID 68748788
N-[(2-methyl-2,3-dihydropyridin-4-yl)methyl]ethanamine
CID 89030889
(2S)-2-(2-methyl-2H-pyrrol-4-yl)piperidine
CID 89154206
N-methyl-2,3,5,6,7,8-hexahydroquinolin-8-amine
CID 89742668
3,4,6,7,8,8a-Hexahydro-1,7-naphthyridine
CID 91072702
1-cyclohexyl-N-(2,5-dihydropyridin-4-ylmethyl)propan-2-amine
CID 123222540
1-[1-(2,3-Dihydropyridin-4-yl)propyl]piperazine
CID 123300753
1-cyclohexyl-N-(2,5-dihydropyridin-3-ylmethyl)propan-2-amine
CID 123362170
1-imino-N,7-dimethyl-4-methylideneoct-6-en-2-amine
CID 123641838
3-(2,3-dihydropyridin-4-yl)-N-methylpropan-1-amine
CID 123947708

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[2-[(4-methylcyclohex-3-en-1-yl)amino]ethylidene]azanium?
The IUPAC name of cyclohexyl-[2-[(4-methylcyclohex-3-en-1-yl)amino]ethylidene]azanium (CID 144552770) is cyclohexyl-[2-[(4-methylcyclohex-3-en-1-yl)amino]ethylidene]azanium.
What is the SMILES notation for cyclohexyl-[2-[(4-methylcyclohex-3-en-1-yl)amino]ethylidene]azanium?
The canonical SMILES for cyclohexyl-[2-[(4-methylcyclohex-3-en-1-yl)amino]ethylidene]azanium is CC1=CCC(NC/C=[NH+]/C2CCCCC2)CC1.
What is the InChIKey of cyclohexyl-[2-[(4-methylcyclohex-3-en-1-yl)amino]ethylidene]azanium?
The InChIKey is USSGDANGLGJTEN-LFIBNONCSA-O. The full InChI is InChI=1S/C15H26N2/c1-13-7-9-15(10-8-13)17-12-11-16-14-5-3-2-4-6-14/h7,11,14-15,17H,2-6,8-10,12H2,1H3/p+1/b16-11+.
What are the key properties of cyclohexyl-[2-[(4-methylcyclohex-3-en-1-yl)amino]ethylidene]azanium?
cyclohexyl-[2-[(4-methylcyclohex-3-en-1-yl)amino]ethylidene]azanium has a molecular weight of 235.39 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[2-[(4-methylcyclohex-3-en-1-yl)amino]ethylidene]azanium is sourced from PubChem (CID 144552770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).