1-[(3,3-difluorocyclohexyl)methyl]-3-methylcyclohexan-1-amine

C14H25F2N — CID 114225400

IUPAC1-[(3,3-difluorocyclohexyl)methyl]-3-methylcyclohexan-1-amine
SMILESCC1CCCC(N)(CC2CCCC(F)(F)C2)C1
InChIInChI=1S/C14H25F2N/c1-11-4-2-6-13(17,8-11)9-12-5-3-7-14(15,16)10-12/h11-12H,2-10,17H2,1H3
InChIKeyOHPWQSLGDLKCCA-UHFFFAOYSA-N
MW245.36 g/mol
LogP4.11
Rot. Bonds2

About 1-[(3,3-difluorocyclohexyl)methyl]-3-methylcyclohexan-1-amine

1-[(3,3-difluorocyclohexyl)methyl]-3-methylcyclohexan-1-amine (PubChem CID 114225400) has the molecular formula C14H25F2N and a molecular weight of 245.36 g/mol. Its IUPAC name is 1-[(3,3-difluorocyclohexyl)methyl]-3-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(3,3-difluorocyclohexyl)methyl]-3-methylcyclohexan-1-amine
PubChem CID114225400
Molecular FormulaC14H25F2N
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Name1-[(3,3-difluorocyclohexyl)methyl]-3-methylcyclohexan-1-amine
SMILESCC1CCCC(N)(CC2CCCC(F)(F)C2)C1
InChIInChI=1S/C14H25F2N/c1-11-4-2-6-13(17,8-11)9-12-5-3-7-14(15,16)10-12/h11-12H,2-10,17H2,1H3
InChIKeyOHPWQSLGDLKCCA-UHFFFAOYSA-N
XLogP4.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,3-difluorocyclohexyl)methyl]-3-methylcyclohexan-1-amine?
The IUPAC name of 1-[(3,3-difluorocyclohexyl)methyl]-3-methylcyclohexan-1-amine (CID 114225400) is 1-[(3,3-difluorocyclohexyl)methyl]-3-methylcyclohexan-1-amine.
What is the SMILES notation for 1-[(3,3-difluorocyclohexyl)methyl]-3-methylcyclohexan-1-amine?
The canonical SMILES for 1-[(3,3-difluorocyclohexyl)methyl]-3-methylcyclohexan-1-amine is CC1CCCC(N)(CC2CCCC(F)(F)C2)C1.
What is the InChIKey of 1-[(3,3-difluorocyclohexyl)methyl]-3-methylcyclohexan-1-amine?
The InChIKey is OHPWQSLGDLKCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F2N/c1-11-4-2-6-13(17,8-11)9-12-5-3-7-14(15,16)10-12/h11-12H,2-10,17H2,1H3.
What are the key properties of 1-[(3,3-difluorocyclohexyl)methyl]-3-methylcyclohexan-1-amine?
1-[(3,3-difluorocyclohexyl)methyl]-3-methylcyclohexan-1-amine has a molecular weight of 245.36 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,3-difluorocyclohexyl)methyl]-3-methylcyclohexan-1-amine is sourced from PubChem (CID 114225400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).