(1S)-2,2-difluoro-N-methyl-1-(6-methylcyclohexa-1,3-dien-1-yl)cyclohexan-1-amine

C14H21F2N — CID 156803399

IUPAC(1S)-2,2-difluoro-N-methyl-1-(6-methylcyclohexa-1,3-dien-1-yl)cyclohexan-1-amine
SMILESCN[C@]1(C2=CC=CCC2C)CCCCC1(F)F
InChIInChI=1S/C14H21F2N/c1-11-7-3-4-8-12(11)13(17-2)9-5-6-10-14(13,15)16/h3-4,8,11,17H,5-7,9-10H2,1-2H3/t11?,13-/m0/s1
InChIKeyIVCNAVXJIZBRPY-YUZLPWPTSA-N
MW241.32 g/mol
LogP3.68
Rot. Bonds2

About (1S)-2,2-difluoro-N-methyl-1-(6-methylcyclohexa-1,3-dien-1-yl)cyclohexan-1-amine

(1S)-2,2-difluoro-N-methyl-1-(6-methylcyclohexa-1,3-dien-1-yl)cyclohexan-1-amine (PubChem CID 156803399) has the molecular formula C14H21F2N and a molecular weight of 241.32 g/mol. Its IUPAC name is (1S)-2,2-difluoro-N-methyl-1-(6-methylcyclohexa-1,3-dien-1-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name(1S)-2,2-difluoro-N-methyl-1-(6-methylcyclohexa-1,3-dien-1-yl)cyclohexan-1-amine
PubChem CID156803399
Molecular FormulaC14H21F2N
Molecular Weight241.32 g/mol
Exact Mass241.16
IUPAC Name(1S)-2,2-difluoro-N-methyl-1-(6-methylcyclohexa-1,3-dien-1-yl)cyclohexan-1-amine
SMILESCN[C@]1(C2=CC=CCC2C)CCCCC1(F)F
InChIInChI=1S/C14H21F2N/c1-11-7-3-4-8-12(11)13(17-2)9-5-6-10-14(13,15)16/h3-4,8,11,17H,5-7,9-10H2,1-2H3/t11?,13-/m0/s1
InChIKeyIVCNAVXJIZBRPY-YUZLPWPTSA-N
XLogP3.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 15826882
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CID 22481425
6-methylcyclohexa-1,3-diene-1-carboxamide
CID 55289117
1-ethyl-6-methylcyclohexa-1,3-diene
CID 91435039
2-(methylamino)-1-(6-methylcyclohexa-1,3-dien-1-yl)propan-1-ol
CID 142113831
6-fluoro-N-methylcyclohexa-1,3-dien-1-amine
CID 146924911
6-methyl-1-[(3Z)-3-prop-1-en-2-ylpenta-1,3-dien-2-yl]cyclohexa-1,3-diene
CID 144719031
6-methyl-1-propylcyclohexa-1,3-diene
CID 123906774
4,4,5,5-tetramethyl-2-(6-methylcyclohexa-1,3-dien-1-yl)-1,3,2-dioxaborolane
CID 90326964
2-(6-methylcyclohexa-1,3-dien-1-yl)ethanol
CID 155053244
(6R)-1-butan-2-yl-6-methylcyclohexa-1,3-diene
CID 142008819
3,3-dimethyl-7,7a-dihydro-2H-inden-1-one
CID 174371674

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-difluoro-N-methyl-1-(6-methylcyclohexa-1,3-dien-1-yl)cyclohexan-1-amine?
The IUPAC name of (1S)-2,2-difluoro-N-methyl-1-(6-methylcyclohexa-1,3-dien-1-yl)cyclohexan-1-amine (CID 156803399) is (1S)-2,2-difluoro-N-methyl-1-(6-methylcyclohexa-1,3-dien-1-yl)cyclohexan-1-amine.
What is the SMILES notation for (1S)-2,2-difluoro-N-methyl-1-(6-methylcyclohexa-1,3-dien-1-yl)cyclohexan-1-amine?
The canonical SMILES for (1S)-2,2-difluoro-N-methyl-1-(6-methylcyclohexa-1,3-dien-1-yl)cyclohexan-1-amine is CN[C@]1(C2=CC=CCC2C)CCCCC1(F)F.
What is the InChIKey of (1S)-2,2-difluoro-N-methyl-1-(6-methylcyclohexa-1,3-dien-1-yl)cyclohexan-1-amine?
The InChIKey is IVCNAVXJIZBRPY-YUZLPWPTSA-N. The full InChI is InChI=1S/C14H21F2N/c1-11-7-3-4-8-12(11)13(17-2)9-5-6-10-14(13,15)16/h3-4,8,11,17H,5-7,9-10H2,1-2H3/t11?,13-/m0/s1.
What are the key properties of (1S)-2,2-difluoro-N-methyl-1-(6-methylcyclohexa-1,3-dien-1-yl)cyclohexan-1-amine?
(1S)-2,2-difluoro-N-methyl-1-(6-methylcyclohexa-1,3-dien-1-yl)cyclohexan-1-amine has a molecular weight of 241.32 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2-difluoro-N-methyl-1-(6-methylcyclohexa-1,3-dien-1-yl)cyclohexan-1-amine is sourced from PubChem (CID 156803399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).