1-(aminomethyl)-N-(2,2-difluoroethyl)-4-ethyl-N-propylcyclohexan-1-amine

C14H28F2N2 — CID 62008121

IUPAC1-(aminomethyl)-N-(2,2-difluoroethyl)-4-ethyl-N-propylcyclohexan-1-amine
SMILESCCCN(CC(F)F)C1(CN)CCC(CC)CC1
InChIInChI=1S/C14H28F2N2/c1-3-9-18(10-13(15)16)14(11-17)7-5-12(4-2)6-8-14/h12-13H,3-11,17H2,1-2H3
InChIKeyKDVVZTSMCVUCED-UHFFFAOYSA-N
MW262.39 g/mol
LogP3.26
Rot. Bonds7

About 1-(aminomethyl)-N-(2,2-difluoroethyl)-4-ethyl-N-propylcyclohexan-1-amine

1-(aminomethyl)-N-(2,2-difluoroethyl)-4-ethyl-N-propylcyclohexan-1-amine (PubChem CID 62008121) has the molecular formula C14H28F2N2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2,2-difluoroethyl)-4-ethyl-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2,2-difluoroethyl)-4-ethyl-N-propylcyclohexan-1-amine
PubChem CID62008121
Molecular FormulaC14H28F2N2
Molecular Weight262.39 g/mol
Exact Mass262.22
IUPAC Name1-(aminomethyl)-N-(2,2-difluoroethyl)-4-ethyl-N-propylcyclohexan-1-amine
SMILESCCCN(CC(F)F)C1(CN)CCC(CC)CC1
InChIInChI=1S/C14H28F2N2/c1-3-9-18(10-13(15)16)14(11-17)7-5-12(4-2)6-8-14/h12-13H,3-11,17H2,1-2H3
InChIKeyKDVVZTSMCVUCED-UHFFFAOYSA-N
XLogP3.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2,2-difluoroethyl)-4-ethyl-N-propylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(2,2-difluoroethyl)-4-ethyl-N-propylcyclohexan-1-amine (CID 62008121) is 1-(aminomethyl)-N-(2,2-difluoroethyl)-4-ethyl-N-propylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(2,2-difluoroethyl)-4-ethyl-N-propylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(2,2-difluoroethyl)-4-ethyl-N-propylcyclohexan-1-amine is CCCN(CC(F)F)C1(CN)CCC(CC)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(2,2-difluoroethyl)-4-ethyl-N-propylcyclohexan-1-amine?
The InChIKey is KDVVZTSMCVUCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28F2N2/c1-3-9-18(10-13(15)16)14(11-17)7-5-12(4-2)6-8-14/h12-13H,3-11,17H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-(2,2-difluoroethyl)-4-ethyl-N-propylcyclohexan-1-amine?
1-(aminomethyl)-N-(2,2-difluoroethyl)-4-ethyl-N-propylcyclohexan-1-amine has a molecular weight of 262.39 g/mol, XLogP of 3.26, 7 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)-4-ethyl-N-propylcyclohexan-1-amine is sourced from PubChem (CID 62008121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).