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

C12H20ClN — CID 155402847

IUPAC3-chloro-N,6-dimethyl-N-(2-methylpropyl)cyclohexa-1,3-dien-1-amine
SMILESCC(C)CN(C)C1=CC(Cl)=CCC1C
InChIInChI=1S/C12H20ClN/c1-9(2)8-14(4)12-7-11(13)6-5-10(12)3/h6-7,9-10H,5,8H2,1-4H3
InChIKeyHLVDHMQVGXSJQW-UHFFFAOYSA-N
MW213.75 g/mol
LogP3.62
Rot. Bonds3

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

3-chloro-N,6-dimethyl-N-(2-methylpropyl)cyclohexa-1,3-dien-1-amine (PubChem CID 155402847) has the molecular formula C12H20ClN and a molecular weight of 213.75 g/mol. Its IUPAC name is 3-chloro-N,6-dimethyl-N-(2-methylpropyl)cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name3-chloro-N,6-dimethyl-N-(2-methylpropyl)cyclohexa-1,3-dien-1-amine
PubChem CID155402847
Molecular FormulaC12H20ClN
Molecular Weight213.75 g/mol
Exact Mass213.13
IUPAC Name3-chloro-N,6-dimethyl-N-(2-methylpropyl)cyclohexa-1,3-dien-1-amine
SMILESCC(C)CN(C)C1=CC(Cl)=CCC1C
InChIInChI=1S/C12H20ClN/c1-9(2)8-14(4)12-7-11(13)6-5-10(12)3/h6-7,9-10H,5,8H2,1-4H3
InChIKeyHLVDHMQVGXSJQW-UHFFFAOYSA-N
XLogP3.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.75
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-6-methyl-N-(2-methylpropyl)cyclohexa-1,3-dien-1-amine
CID 155402647
N-methyl-N-(2-methylpropyl)pyrimidin-2-amine
CID 88975209
3-chloro-1-fluoro-6-propan-2-ylcyclohexa-1,3-diene
CID 177189945
N,5-dimethyl-N-(2-methylpropyl)pyrimidin-2-amine
CID 130679981
(4S)-4-methylcyclobuten-1-amine
CID 164996658
3,5-dichloro-2-N,6-N-dimethyl-6-N-(2-methylpropyl)pyridine-2,6-diamine
CID 102755864
2-bromo-N-methyl-N-(2-methylpropyl)aniline
CID 11149184
4-[(cyclopropylamino)methyl]-N,3-dimethyl-N-(2-methylpropyl)aniline
CID 62134168
5-chloro-2-(chloromethyl)-N-methyl-N-(2-methylpropyl)aniline
CID 114846372
3,5-dichloro-6-hydrazinyl-N-methyl-N-(2-methylpropyl)pyridin-2-amine
CID 102761612
N-methyl-N-(2-methylpropyl)pyridin-4-amine
CID 123668191
4-[methyl(2-methylpropyl)amino]phenol
CID 57245584

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N,6-dimethyl-N-(2-methylpropyl)cyclohexa-1,3-dien-1-amine?
The IUPAC name of 3-chloro-N,6-dimethyl-N-(2-methylpropyl)cyclohexa-1,3-dien-1-amine (CID 155402847) is 3-chloro-N,6-dimethyl-N-(2-methylpropyl)cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 3-chloro-N,6-dimethyl-N-(2-methylpropyl)cyclohexa-1,3-dien-1-amine?
The canonical SMILES for 3-chloro-N,6-dimethyl-N-(2-methylpropyl)cyclohexa-1,3-dien-1-amine is CC(C)CN(C)C1=CC(Cl)=CCC1C.
What is the InChIKey of 3-chloro-N,6-dimethyl-N-(2-methylpropyl)cyclohexa-1,3-dien-1-amine?
The InChIKey is HLVDHMQVGXSJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN/c1-9(2)8-14(4)12-7-11(13)6-5-10(12)3/h6-7,9-10H,5,8H2,1-4H3.
What are the key properties of 3-chloro-N,6-dimethyl-N-(2-methylpropyl)cyclohexa-1,3-dien-1-amine?
3-chloro-N,6-dimethyl-N-(2-methylpropyl)cyclohexa-1,3-dien-1-amine has a molecular weight of 213.75 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N,6-dimethyl-N-(2-methylpropyl)cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 155402847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).