1-(aminomethyl)-N,4-diethyl-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine

C14H27F3N2 — CID 64552917

IUPAC1-(aminomethyl)-N,4-diethyl-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine
SMILESCCC1CCC(CN)(N(CC)CCC(F)(F)F)CC1
InChIInChI=1S/C14H27F3N2/c1-3-12-5-7-13(11-18,8-6-12)19(4-2)10-9-14(15,16)17/h12H,3-11,18H2,1-2H3
InChIKeyBJXJAFGLSHQJRQ-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.56
Rot. Bonds6

About 1-(aminomethyl)-N,4-diethyl-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine

1-(aminomethyl)-N,4-diethyl-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine (PubChem CID 64552917) has the molecular formula C14H27F3N2 and a molecular weight of 280.38 g/mol. Its IUPAC name is 1-(aminomethyl)-N,4-diethyl-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N,4-diethyl-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine
PubChem CID64552917
Molecular FormulaC14H27F3N2
Molecular Weight280.38 g/mol
Exact Mass280.21
IUPAC Name1-(aminomethyl)-N,4-diethyl-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine
SMILESCCC1CCC(CN)(N(CC)CCC(F)(F)F)CC1
InChIInChI=1S/C14H27F3N2/c1-3-12-5-7-13(11-18,8-6-12)19(4-2)10-9-14(15,16)17/h12H,3-11,18H2,1-2H3
InChIKeyBJXJAFGLSHQJRQ-UHFFFAOYSA-N
XLogP3.56
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N,4-diethyl-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N,4-diethyl-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine (CID 64552917) is 1-(aminomethyl)-N,4-diethyl-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N,4-diethyl-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N,4-diethyl-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine is CCC1CCC(CN)(N(CC)CCC(F)(F)F)CC1.
What is the InChIKey of 1-(aminomethyl)-N,4-diethyl-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine?
The InChIKey is BJXJAFGLSHQJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2/c1-3-12-5-7-13(11-18,8-6-12)19(4-2)10-9-14(15,16)17/h12H,3-11,18H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N,4-diethyl-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine?
1-(aminomethyl)-N,4-diethyl-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine has a molecular weight of 280.38 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N,4-diethyl-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine is sourced from PubChem (CID 64552917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).