3-cyclohexa-1,3-dien-1-yl-1-methylcyclohexan-1-amine

C13H21N — CID 139470360

IUPAC3-cyclohexa-1,3-dien-1-yl-1-methylcyclohexan-1-amine
SMILESCC1(N)CCCC(C2=CC=CCC2)C1
InChIInChI=1S/C13H21N/c1-13(14)9-5-8-12(10-13)11-6-3-2-4-7-11/h2-3,6,12H,4-5,7-10,14H2,1H3
InChIKeyIOJKBOZXKGOICF-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.17
Rot. Bonds1

About 3-cyclohexa-1,3-dien-1-yl-1-methylcyclohexan-1-amine

3-cyclohexa-1,3-dien-1-yl-1-methylcyclohexan-1-amine (PubChem CID 139470360) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 3-cyclohexa-1,3-dien-1-yl-1-methylcyclohexan-1-amine.

Molecular Properties

Compound Name3-cyclohexa-1,3-dien-1-yl-1-methylcyclohexan-1-amine
PubChem CID139470360
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name3-cyclohexa-1,3-dien-1-yl-1-methylcyclohexan-1-amine
SMILESCC1(N)CCCC(C2=CC=CCC2)C1
InChIInChI=1S/C13H21N/c1-13(14)9-5-8-12(10-13)11-6-3-2-4-7-11/h2-3,6,12H,4-5,7-10,14H2,1H3
InChIKeyIOJKBOZXKGOICF-UHFFFAOYSA-N
XLogP3.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclooctylcycloocta-1,3-diene
CID 154370011
4-cyclohexa-1,3-dien-1-yl-2,2-dimethyloxetane
CID 178055178
cis-(1R,3R)-1,3-dimethylcyclohexan-1-amine
CID 10797095
4-cyclohexa-1,3-dien-1-yl-3-methyl-2-(1-methylcyclohex-3-en-1-yl)cyclohexen-1-amine
CID 71234821
cis-(1R,3R)-1-methyl-3-propan-2-ylcyclohexan-1-amine
CID 124680458
3-(aminomethyl)-1-methylcyclohexan-1-amine
CID 11804870
4-cyclopenta-1,3-dien-1-ylcyclooctene
CID 163506625
cis-(1R,3R)-3-ethenyl-1-methylcyclohexan-1-amine
CID 89155214
2,3,3a,4-tetrahydro-1H-indene;ethane-1,2-diol;titanium(2+);dichloride
CID 174467670
4-cyclohexa-1,3-dien-1-yl-N-(4-cyclohexylcyclohexyl)cyclohexen-1-amine
CID 134316428
3-amino-3-methylcyclohexane-1-carboxylic acid
CID 76540994
1-[(1S)-cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-diene
CID 153393902

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexa-1,3-dien-1-yl-1-methylcyclohexan-1-amine?
The IUPAC name of 3-cyclohexa-1,3-dien-1-yl-1-methylcyclohexan-1-amine (CID 139470360) is 3-cyclohexa-1,3-dien-1-yl-1-methylcyclohexan-1-amine.
What is the SMILES notation for 3-cyclohexa-1,3-dien-1-yl-1-methylcyclohexan-1-amine?
The canonical SMILES for 3-cyclohexa-1,3-dien-1-yl-1-methylcyclohexan-1-amine is CC1(N)CCCC(C2=CC=CCC2)C1.
What is the InChIKey of 3-cyclohexa-1,3-dien-1-yl-1-methylcyclohexan-1-amine?
The InChIKey is IOJKBOZXKGOICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-13(14)9-5-8-12(10-13)11-6-3-2-4-7-11/h2-3,6,12H,4-5,7-10,14H2,1H3.
What are the key properties of 3-cyclohexa-1,3-dien-1-yl-1-methylcyclohexan-1-amine?
3-cyclohexa-1,3-dien-1-yl-1-methylcyclohexan-1-amine has a molecular weight of 191.32 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexa-1,3-dien-1-yl-1-methylcyclohexan-1-amine is sourced from PubChem (CID 139470360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).