N-[[1-(dimethylamino)cyclohexyl]methyl]-6-fluorocyclohexa-2,4-dien-1-amine

C15H25FN2 — CID 175318574

IUPACN-[[1-(dimethylamino)cyclohexyl]methyl]-6-fluorocyclohexa-2,4-dien-1-amine
SMILESCN(C)C1(CNC2C=CC=CC2F)CCCCC1
InChIInChI=1S/C15H25FN2/c1-18(2)15(10-6-3-7-11-15)12-17-14-9-5-4-8-13(14)16/h4-5,8-9,13-14,17H,3,6-7,10-12H2,1-2H3
InChIKeyGAOUXHKUEPPXPO-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.67
Rot. Bonds4

About N-[[1-(dimethylamino)cyclohexyl]methyl]-6-fluorocyclohexa-2,4-dien-1-amine

N-[[1-(dimethylamino)cyclohexyl]methyl]-6-fluorocyclohexa-2,4-dien-1-amine (PubChem CID 175318574) has the molecular formula C15H25FN2 and a molecular weight of 252.38 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclohexyl]methyl]-6-fluorocyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclohexyl]methyl]-6-fluorocyclohexa-2,4-dien-1-amine
PubChem CID175318574
Molecular FormulaC15H25FN2
Molecular Weight252.38 g/mol
Exact Mass252.20
IUPAC NameN-[[1-(dimethylamino)cyclohexyl]methyl]-6-fluorocyclohexa-2,4-dien-1-amine
SMILESCN(C)C1(CNC2C=CC=CC2F)CCCCC1
InChIInChI=1S/C15H25FN2/c1-18(2)15(10-6-3-7-11-15)12-17-14-9-5-4-8-13(14)16/h4-5,8-9,13-14,17H,3,6-7,10-12H2,1-2H3
InChIKeyGAOUXHKUEPPXPO-UHFFFAOYSA-N
XLogP2.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-Fluoro-1,2-dihydropyridin-2-yl)-1-methylpiperidin-3-amine
CID 68485577
2-N-[(4Z,6E)-6-fluoro-1-(4-fluorocyclohexa-2,4-dien-1-yl)-3-methyl-2-methylidenenona-4,6,8-trienyl]cyclohexane-1,2-diamine
CID 90126499
N-(3-fluorocyclohexa-2,4-dien-1-yl)-N,7-dimethyl-4-prop-1-enylazepan-4-amine
CID 91240405
1-(aminomethyl)-4-fluoro-N-propylcyclohex-3-en-1-amine
CID 117626994
5-(5-fluoro-1-methylcyclohexa-2,4-dien-1-yl)-N,1-dimethylpyrrolidin-3-amine
CID 134386250
1-[3-(Dimethylamino)propyl]-4-fluorocyclohexa-3,5-diene-1,2-diamine
CID 142804247
1-[3-(Dimethylamino)propyl]-5-fluorocyclohexa-3,5-diene-1,2-diamine
CID 142804249
4-N,4-dibutyl-3-fluorocyclohexa-1,5-diene-1,4-diamine
CID 154352198
1-[(2E,4E)-1-cyclobutyl-2-ethenyl-5-fluorohexa-2,4-dienyl]piperazine
CID 166731681
N-[[1-(dimethylamino)cyclobutyl]methyl]-6-fluorocyclohexa-2,4-dien-1-amine
CID 174895415
3-Ethylheptyl-(1-fluorocyclohexa-2,4-dien-1-yl)-methylazanium
CID 23123205
5-[(3E,5Z)-3,7-difluorohepta-3,5-dienyl]-N,1-dimethylpiperidin-3-amine
CID 144302365

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]-6-fluorocyclohexa-2,4-dien-1-amine?
The IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]-6-fluorocyclohexa-2,4-dien-1-amine (CID 175318574) is N-[[1-(dimethylamino)cyclohexyl]methyl]-6-fluorocyclohexa-2,4-dien-1-amine.
What is the SMILES notation for N-[[1-(dimethylamino)cyclohexyl]methyl]-6-fluorocyclohexa-2,4-dien-1-amine?
The canonical SMILES for N-[[1-(dimethylamino)cyclohexyl]methyl]-6-fluorocyclohexa-2,4-dien-1-amine is CN(C)C1(CNC2C=CC=CC2F)CCCCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclohexyl]methyl]-6-fluorocyclohexa-2,4-dien-1-amine?
The InChIKey is GAOUXHKUEPPXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2/c1-18(2)15(10-6-3-7-11-15)12-17-14-9-5-4-8-13(14)16/h4-5,8-9,13-14,17H,3,6-7,10-12H2,1-2H3.
What are the key properties of N-[[1-(dimethylamino)cyclohexyl]methyl]-6-fluorocyclohexa-2,4-dien-1-amine?
N-[[1-(dimethylamino)cyclohexyl]methyl]-6-fluorocyclohexa-2,4-dien-1-amine has a molecular weight of 252.38 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclohexyl]methyl]-6-fluorocyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 175318574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).