1-(3,3-difluorocyclohexyl)-N-ethyl-2,4-dimethylpentan-1-amine

C15H29F2N — CID 114284914

IUPAC1-(3,3-difluorocyclohexyl)-N-ethyl-2,4-dimethylpentan-1-amine
SMILESCCNC(C(C)CC(C)C)C1CCCC(F)(F)C1
InChIInChI=1S/C15H29F2N/c1-5-18-14(12(4)9-11(2)3)13-7-6-8-15(16,17)10-13/h11-14,18H,5-10H2,1-4H3
InChIKeyAWTXUKNFGADTPS-UHFFFAOYSA-N
MW261.40 g/mol
LogP4.47
Rot. Bonds6

About 1-(3,3-difluorocyclohexyl)-N-ethyl-2,4-dimethylpentan-1-amine

1-(3,3-difluorocyclohexyl)-N-ethyl-2,4-dimethylpentan-1-amine (PubChem CID 114284914) has the molecular formula C15H29F2N and a molecular weight of 261.40 g/mol. Its IUPAC name is 1-(3,3-difluorocyclohexyl)-N-ethyl-2,4-dimethylpentan-1-amine.

Molecular Properties

Compound Name1-(3,3-difluorocyclohexyl)-N-ethyl-2,4-dimethylpentan-1-amine
PubChem CID114284914
Molecular FormulaC15H29F2N
Molecular Weight261.40 g/mol
Exact Mass261.23
IUPAC Name1-(3,3-difluorocyclohexyl)-N-ethyl-2,4-dimethylpentan-1-amine
SMILESCCNC(C(C)CC(C)C)C1CCCC(F)(F)C1
InChIInChI=1S/C15H29F2N/c1-5-18-14(12(4)9-11(2)3)13-7-6-8-15(16,17)10-13/h11-14,18H,5-10H2,1-4H3
InChIKeyAWTXUKNFGADTPS-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.40
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3,3-difluorocyclohexyl)-thiophen-3-ylmethyl]ethanamine
CID 114216048
1-(3,3-difluorocyclohexyl)-3,5-dimethylhexan-1-ol
CID 114215688
2-(aminomethyl)-1-(3,3-difluorocyclohexyl)-4-methylpentan-1-ol
CID 114226754
1-cyclohexyl-2-cyclopropyl-N-ethylpropan-1-amine
CID 114981084
[cyclopropyl-(3,3-difluorocyclohexyl)methyl]hydrazine
CID 130485115
N-ethyl-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine
CID 79914798
(3,3-difluorocyclohexyl)-(4-ethylphenyl)methanol
CID 114215750
(1S)-3,3-difluoro-N-methylcyclohexan-1-amine
CID 177192029
(3R)-1,1-difluoro-3-(2-methylpropyl)cyclohexane
CID 121406277
1-(2,2-dimethylcyclopentyl)-N-ethyl-3-methylbutan-1-amine
CID 107187753
4-(3,3-difluorocyclohexyl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 114225502
(2S)-2-amino-2-(3,3-difluorocyclohexyl)ethanol
CID 160689350

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclohexyl)-N-ethyl-2,4-dimethylpentan-1-amine?
The IUPAC name of 1-(3,3-difluorocyclohexyl)-N-ethyl-2,4-dimethylpentan-1-amine (CID 114284914) is 1-(3,3-difluorocyclohexyl)-N-ethyl-2,4-dimethylpentan-1-amine.
What is the SMILES notation for 1-(3,3-difluorocyclohexyl)-N-ethyl-2,4-dimethylpentan-1-amine?
The canonical SMILES for 1-(3,3-difluorocyclohexyl)-N-ethyl-2,4-dimethylpentan-1-amine is CCNC(C(C)CC(C)C)C1CCCC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluorocyclohexyl)-N-ethyl-2,4-dimethylpentan-1-amine?
The InChIKey is AWTXUKNFGADTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F2N/c1-5-18-14(12(4)9-11(2)3)13-7-6-8-15(16,17)10-13/h11-14,18H,5-10H2,1-4H3.
What are the key properties of 1-(3,3-difluorocyclohexyl)-N-ethyl-2,4-dimethylpentan-1-amine?
1-(3,3-difluorocyclohexyl)-N-ethyl-2,4-dimethylpentan-1-amine has a molecular weight of 261.40 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclohexyl)-N-ethyl-2,4-dimethylpentan-1-amine is sourced from PubChem (CID 114284914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).