N-[(2,2-difluorocyclohexyl)methyl]cyclopropanamine

C10H17F2N — CID 127002696

IUPACN-[(2,2-difluorocyclohexyl)methyl]cyclopropanamine
SMILESFC1(F)CCCCC1CNC1CC1
InChIInChI=1S/C10H17F2N/c11-10(12)6-2-1-3-8(10)7-13-9-4-5-9/h8-9,13H,1-7H2
InChIKeyUVEGUOQJOLLIOA-UHFFFAOYSA-N
MW189.25 g/mol
LogP2.56
Rot. Bonds3

About N-[(2,2-difluorocyclohexyl)methyl]cyclopropanamine

N-[(2,2-difluorocyclohexyl)methyl]cyclopropanamine (PubChem CID 127002696) has the molecular formula C10H17F2N and a molecular weight of 189.25 g/mol. Its IUPAC name is N-[(2,2-difluorocyclohexyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2,2-difluorocyclohexyl)methyl]cyclopropanamine
PubChem CID127002696
Molecular FormulaC10H17F2N
Molecular Weight189.25 g/mol
Exact Mass189.13
IUPAC NameN-[(2,2-difluorocyclohexyl)methyl]cyclopropanamine
SMILESFC1(F)CCCCC1CNC1CC1
InChIInChI=1S/C10H17F2N/c11-10(12)6-2-1-3-8(10)7-13-9-4-5-9/h8-9,13H,1-7H2
InChIKeyUVEGUOQJOLLIOA-UHFFFAOYSA-N
XLogP2.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,2-difluorocyclohexyl)-N-methylmethanamine;hydrochloride
CID 163321422
N-(spiro[2.6]nonan-2-ylmethyl)cyclopropanamine
CID 62712980
(2,2-difluorocyclohexyl)methanamine;hydrochloride
CID 105441933
N-[(8-methylspiro[2.5]octan-2-yl)methyl]cyclopropanamine
CID 62712621
N-[(2,2-dimethylcyclopentyl)methyl]cycloheptanamine
CID 107178325
N-[(2,2-difluorocyclopentyl)methyl]formamide
CID 130921420
4-chloro-N-[(2,2-difluorocyclopentyl)methyl]oxolan-3-amine
CID 130751523
N-[(2-cyclohexyl-2-methylcyclopropyl)methyl]cyclopropanamine
CID 62713154
2-[(4,4-difluorocyclohexyl)methyl]-1,1-difluorocyclohexane
CID 174754324
N-[(2,2-difluorocyclopropyl)methyl]-1-methylpiperidin-4-amine
CID 177148476
trans-(1S,2S)-2-[(cyclopropylamino)methyl]cyclohexan-1-amine
CID 66594618
1-(2,2-difluorocyclopentyl)-N-methylmethanamine;1-(2-fluorocyclopentyl)-N-methylmethanamine
CID 154691946

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-difluorocyclohexyl)methyl]cyclopropanamine?
The IUPAC name of N-[(2,2-difluorocyclohexyl)methyl]cyclopropanamine (CID 127002696) is N-[(2,2-difluorocyclohexyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2,2-difluorocyclohexyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2,2-difluorocyclohexyl)methyl]cyclopropanamine is FC1(F)CCCCC1CNC1CC1.
What is the InChIKey of N-[(2,2-difluorocyclohexyl)methyl]cyclopropanamine?
The InChIKey is UVEGUOQJOLLIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N/c11-10(12)6-2-1-3-8(10)7-13-9-4-5-9/h8-9,13H,1-7H2.
What are the key properties of N-[(2,2-difluorocyclohexyl)methyl]cyclopropanamine?
N-[(2,2-difluorocyclohexyl)methyl]cyclopropanamine has a molecular weight of 189.25 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-difluorocyclohexyl)methyl]cyclopropanamine is sourced from PubChem (CID 127002696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).