1-N,1-N-diethyl-4-N-[4-(trifluoromethyl)cyclohexyl]pentane-1,4-diamine

C16H31F3N2 — CID 64754640

IUPAC1-N,1-N-diethyl-4-N-[4-(trifluoromethyl)cyclohexyl]pentane-1,4-diamine
SMILESCCN(CC)CCCC(C)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C16H31F3N2/c1-4-21(5-2)12-6-7-13(3)20-15-10-8-14(9-11-15)16(17,18)19/h13-15,20H,4-12H2,1-3H3
InChIKeyUQKIJDFDORERPG-UHFFFAOYSA-N
MW308.43 g/mol
LogP4.21
Rot. Bonds8

About 1-N,1-N-diethyl-4-N-[4-(trifluoromethyl)cyclohexyl]pentane-1,4-diamine

1-N,1-N-diethyl-4-N-[4-(trifluoromethyl)cyclohexyl]pentane-1,4-diamine (PubChem CID 64754640) has the molecular formula C16H31F3N2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-N,1-N-diethyl-4-N-[4-(trifluoromethyl)cyclohexyl]pentane-1,4-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-4-N-[4-(trifluoromethyl)cyclohexyl]pentane-1,4-diamine
PubChem CID64754640
Molecular FormulaC16H31F3N2
Molecular Weight308.43 g/mol
Exact Mass308.24
IUPAC Name1-N,1-N-diethyl-4-N-[4-(trifluoromethyl)cyclohexyl]pentane-1,4-diamine
SMILESCCN(CC)CCCC(C)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C16H31F3N2/c1-4-21(5-2)12-6-7-13(3)20-15-10-8-14(9-11-15)16(17,18)19/h13-15,20H,4-12H2,1-3H3
InChIKeyUQKIJDFDORERPG-UHFFFAOYSA-N
XLogP4.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-4-N-[4-(trifluoromethyl)cyclohexyl]pentane-1,4-diamine?
The IUPAC name of 1-N,1-N-diethyl-4-N-[4-(trifluoromethyl)cyclohexyl]pentane-1,4-diamine (CID 64754640) is 1-N,1-N-diethyl-4-N-[4-(trifluoromethyl)cyclohexyl]pentane-1,4-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-4-N-[4-(trifluoromethyl)cyclohexyl]pentane-1,4-diamine?
The canonical SMILES for 1-N,1-N-diethyl-4-N-[4-(trifluoromethyl)cyclohexyl]pentane-1,4-diamine is CCN(CC)CCCC(C)NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-N,1-N-diethyl-4-N-[4-(trifluoromethyl)cyclohexyl]pentane-1,4-diamine?
The InChIKey is UQKIJDFDORERPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31F3N2/c1-4-21(5-2)12-6-7-13(3)20-15-10-8-14(9-11-15)16(17,18)19/h13-15,20H,4-12H2,1-3H3.
What are the key properties of 1-N,1-N-diethyl-4-N-[4-(trifluoromethyl)cyclohexyl]pentane-1,4-diamine?
1-N,1-N-diethyl-4-N-[4-(trifluoromethyl)cyclohexyl]pentane-1,4-diamine has a molecular weight of 308.43 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-4-N-[4-(trifluoromethyl)cyclohexyl]pentane-1,4-diamine is sourced from PubChem (CID 64754640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).