1-(aminomethyl)-N-(2,2-difluoroethyl)-N-methylcycloheptan-1-amine

C11H22F2N2 — CID 62009117

IUPAC1-(aminomethyl)-N-(2,2-difluoroethyl)-N-methylcycloheptan-1-amine
SMILESCN(CC(F)F)C1(CN)CCCCCC1
InChIInChI=1S/C11H22F2N2/c1-15(8-10(12)13)11(9-14)6-4-2-3-5-7-11/h10H,2-9,14H2,1H3
InChIKeyRTBSSRYHAWLKLQ-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.23
Rot. Bonds4

About 1-(aminomethyl)-N-(2,2-difluoroethyl)-N-methylcycloheptan-1-amine

1-(aminomethyl)-N-(2,2-difluoroethyl)-N-methylcycloheptan-1-amine (PubChem CID 62009117) has the molecular formula C11H22F2N2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2,2-difluoroethyl)-N-methylcycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2,2-difluoroethyl)-N-methylcycloheptan-1-amine
PubChem CID62009117
Molecular FormulaC11H22F2N2
Molecular Weight220.31 g/mol
Exact Mass220.18
IUPAC Name1-(aminomethyl)-N-(2,2-difluoroethyl)-N-methylcycloheptan-1-amine
SMILESCN(CC(F)F)C1(CN)CCCCCC1
InChIInChI=1S/C11H22F2N2/c1-15(8-10(12)13)11(9-14)6-4-2-3-5-7-11/h10H,2-9,14H2,1H3
InChIKeyRTBSSRYHAWLKLQ-UHFFFAOYSA-N
XLogP2.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(aminomethyl)-N-(2,2-difluoroethyl)-N-methylcycloheptan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2,2-difluoroethyl)-N-methylcycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(2,2-difluoroethyl)-N-methylcycloheptan-1-amine (CID 62009117) is 1-(aminomethyl)-N-(2,2-difluoroethyl)-N-methylcycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(2,2-difluoroethyl)-N-methylcycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(2,2-difluoroethyl)-N-methylcycloheptan-1-amine is CN(CC(F)F)C1(CN)CCCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-(2,2-difluoroethyl)-N-methylcycloheptan-1-amine?
The InChIKey is RTBSSRYHAWLKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2N2/c1-15(8-10(12)13)11(9-14)6-4-2-3-5-7-11/h10H,2-9,14H2,1H3.
What are the key properties of 1-(aminomethyl)-N-(2,2-difluoroethyl)-N-methylcycloheptan-1-amine?
1-(aminomethyl)-N-(2,2-difluoroethyl)-N-methylcycloheptan-1-amine has a molecular weight of 220.31 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2,2-difluoroethyl)-N-methylcycloheptan-1-amine is sourced from PubChem (CID 62009117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).