1-(aminomethyl)-N-(2,2-difluoroethyl)-3-methylcyclohexan-1-amine

C10H20F2N2 — CID 115406357

IUPAC1-(aminomethyl)-N-(2,2-difluoroethyl)-3-methylcyclohexan-1-amine
SMILESCC1CCCC(CN)(NCC(F)F)C1
InChIInChI=1S/C10H20F2N2/c1-8-3-2-4-10(5-8,7-13)14-6-9(11)12/h8-9,14H,2-7,13H2,1H3
InChIKeyUQXXISUFXCNEIY-UHFFFAOYSA-N
MW206.28 g/mol
LogP1.75
Rot. Bonds4

About 1-(aminomethyl)-N-(2,2-difluoroethyl)-3-methylcyclohexan-1-amine

1-(aminomethyl)-N-(2,2-difluoroethyl)-3-methylcyclohexan-1-amine (PubChem CID 115406357) has the molecular formula C10H20F2N2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2,2-difluoroethyl)-3-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2,2-difluoroethyl)-3-methylcyclohexan-1-amine
PubChem CID115406357
Molecular FormulaC10H20F2N2
Molecular Weight206.28 g/mol
Exact Mass206.16
IUPAC Name1-(aminomethyl)-N-(2,2-difluoroethyl)-3-methylcyclohexan-1-amine
SMILESCC1CCCC(CN)(NCC(F)F)C1
InChIInChI=1S/C10H20F2N2/c1-8-3-2-4-10(5-8,7-13)14-6-9(11)12/h8-9,14H,2-7,13H2,1H3
InChIKeyUQXXISUFXCNEIY-UHFFFAOYSA-N
XLogP1.75
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-but-3-ynyl-3-methylcyclohexan-1-amine
CID 116641321
N-[1-(aminomethyl)-3-methylcyclohexyl]-N',N'-diethylethane-1,2-diamine
CID 65384408
1-(aminomethyl)-N-(2-methoxypropyl)-4-methylcycloheptan-1-amine
CID 102697325
N-[1-(aminomethyl)-3-methylcyclohexyl]-2-methylpropanamide
CID 63753681
1-(aminomethyl)-N-(2,2-difluoroethyl)-N,3-dimethylcyclohexan-1-amine
CID 62007114
4-(aminomethyl)-N-(2,2-difluoroethyl)-2-propyloxan-4-amine
CID 115406424
3-[[1-(aminomethyl)-3-methylcyclohexyl]amino]butan-1-ol
CID 83176449
1-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)-3-propan-2-ylcyclohexan-1-amine
CID 107449251
1-(aminomethyl)-3-methyl-N-propan-2-ylcyclopentan-1-amine
CID 64500541
methyl N-[1-(aminomethyl)-3-methylcyclohexyl]carbamate
CID 63766942
1-(aminomethyl)-N-[2-(cyclopenten-1-yl)ethyl]-3-methylcyclohexan-1-amine
CID 106173193
N-[1-(aminomethyl)-3-methylcyclohexyl]-2-fluoroaniline
CID 65376483

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2,2-difluoroethyl)-3-methylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(2,2-difluoroethyl)-3-methylcyclohexan-1-amine (CID 115406357) is 1-(aminomethyl)-N-(2,2-difluoroethyl)-3-methylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(2,2-difluoroethyl)-3-methylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(2,2-difluoroethyl)-3-methylcyclohexan-1-amine is CC1CCCC(CN)(NCC(F)F)C1.
What is the InChIKey of 1-(aminomethyl)-N-(2,2-difluoroethyl)-3-methylcyclohexan-1-amine?
The InChIKey is UQXXISUFXCNEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2N2/c1-8-3-2-4-10(5-8,7-13)14-6-9(11)12/h8-9,14H,2-7,13H2,1H3.
What are the key properties of 1-(aminomethyl)-N-(2,2-difluoroethyl)-3-methylcyclohexan-1-amine?
1-(aminomethyl)-N-(2,2-difluoroethyl)-3-methylcyclohexan-1-amine has a molecular weight of 206.28 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2,2-difluoroethyl)-3-methylcyclohexan-1-amine is sourced from PubChem (CID 115406357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).