3-chloro-6-methyl-N-(2-methylpropyl)cyclohexa-1,3-dien-1-amine

C11H18ClN — CID 155402647

IUPAC3-chloro-6-methyl-N-(2-methylpropyl)cyclohexa-1,3-dien-1-amine
SMILESCC(C)CNC1=CC(Cl)=CCC1C
InChIInChI=1S/C11H18ClN/c1-8(2)7-13-11-6-10(12)5-4-9(11)3/h5-6,8-9,13H,4,7H2,1-3H3
InChIKeyLGSBQNFBFLTTDF-UHFFFAOYSA-N
MW199.72 g/mol
LogP3.28
Rot. Bonds3

About 3-chloro-6-methyl-N-(2-methylpropyl)cyclohexa-1,3-dien-1-amine

3-chloro-6-methyl-N-(2-methylpropyl)cyclohexa-1,3-dien-1-amine (PubChem CID 155402647) has the molecular formula C11H18ClN and a molecular weight of 199.72 g/mol. Its IUPAC name is 3-chloro-6-methyl-N-(2-methylpropyl)cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name3-chloro-6-methyl-N-(2-methylpropyl)cyclohexa-1,3-dien-1-amine
PubChem CID155402647
Molecular FormulaC11H18ClN
Molecular Weight199.72 g/mol
Exact Mass199.11
IUPAC Name3-chloro-6-methyl-N-(2-methylpropyl)cyclohexa-1,3-dien-1-amine
SMILESCC(C)CNC1=CC(Cl)=CCC1C
InChIInChI=1S/C11H18ClN/c1-8(2)7-13-11-6-10(12)5-4-9(11)3/h5-6,8-9,13H,4,7H2,1-3H3
InChIKeyLGSBQNFBFLTTDF-UHFFFAOYSA-N
XLogP3.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.72
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-5-fluoro-3,4-dimethyl-N-(2-methylpropyl)cyclohexa-1,5-dien-1-amine
CID 156226930
2-chloro-N-(1-fluoroethyl)-6-propan-2-ylcyclohexa-1,5-dien-1-amine
CID 167052494
(4Z,6E,8Z)-7-chloro-8-fluoro-2-methyl-N-[(1-methylcyclopropyl)methyl]undeca-4,6,8,10-tetraen-4-amine
CID 169666182
6-Butan-2-yl-2-fluoro-1,2-dihydropyridine
CID 175623362
2-n-Propyl-4-ethylpyrroline
CID 129804295
N-butan-2-yl-5-butan-2-ylidene-3-fluoro-6-methylcyclohexa-1,3-dien-1-amine
CID 153346119
6-(Propan-2-yl)-1,2,3,4-tetrahydropyridine
CID 45092786
4-Methyl-6-propyl-1,2,3,4-tetrahydropyridine
CID 53918850
1-(2-methylpropyl)-2H-2-benzazepine
CID 57305490
N-cyclohexa-2,4-dien-1-yl-4-methylcyclohexa-1,5-dien-1-amine
CID 58121899
4,4-dimethyl-6-propan-2-yl-2,3-dihydro-1H-pyridine
CID 67720978
4,4-dimethyl-6-(2-methylpropyl)-2,3-dihydro-1H-pyridine
CID 67934991

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-methyl-N-(2-methylpropyl)cyclohexa-1,3-dien-1-amine?
The IUPAC name of 3-chloro-6-methyl-N-(2-methylpropyl)cyclohexa-1,3-dien-1-amine (CID 155402647) is 3-chloro-6-methyl-N-(2-methylpropyl)cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 3-chloro-6-methyl-N-(2-methylpropyl)cyclohexa-1,3-dien-1-amine?
The canonical SMILES for 3-chloro-6-methyl-N-(2-methylpropyl)cyclohexa-1,3-dien-1-amine is CC(C)CNC1=CC(Cl)=CCC1C.
What is the InChIKey of 3-chloro-6-methyl-N-(2-methylpropyl)cyclohexa-1,3-dien-1-amine?
The InChIKey is LGSBQNFBFLTTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN/c1-8(2)7-13-11-6-10(12)5-4-9(11)3/h5-6,8-9,13H,4,7H2,1-3H3.
What are the key properties of 3-chloro-6-methyl-N-(2-methylpropyl)cyclohexa-1,3-dien-1-amine?
3-chloro-6-methyl-N-(2-methylpropyl)cyclohexa-1,3-dien-1-amine has a molecular weight of 199.72 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-methyl-N-(2-methylpropyl)cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 155402647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).