2-N,2-N-dicyclohexyl-3,3,3-trifluoropropane-1,2-diamine

C15H27F3N2 — CID 43752659

IUPAC2-N,2-N-dicyclohexyl-3,3,3-trifluoropropane-1,2-diamine
SMILESNCC(N(C1CCCCC1)C1CCCCC1)C(F)(F)F
InChIInChI=1S/C15H27F3N2/c16-15(17,18)14(11-19)20(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h12-14H,1-11,19H2
InChIKeyCQWVUVHITQWMHV-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.84
Rot. Bonds4

About 2-N,2-N-dicyclohexyl-3,3,3-trifluoropropane-1,2-diamine

2-N,2-N-dicyclohexyl-3,3,3-trifluoropropane-1,2-diamine (PubChem CID 43752659) has the molecular formula C15H27F3N2 and a molecular weight of 292.39 g/mol. Its IUPAC name is 2-N,2-N-dicyclohexyl-3,3,3-trifluoropropane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-dicyclohexyl-3,3,3-trifluoropropane-1,2-diamine
PubChem CID43752659
Molecular FormulaC15H27F3N2
Molecular Weight292.39 g/mol
Exact Mass292.21
IUPAC Name2-N,2-N-dicyclohexyl-3,3,3-trifluoropropane-1,2-diamine
SMILESNCC(N(C1CCCCC1)C1CCCCC1)C(F)(F)F
InChIInChI=1S/C15H27F3N2/c16-15(17,18)14(11-19)20(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h12-14H,1-11,19H2
InChIKeyCQWVUVHITQWMHV-UHFFFAOYSA-N
XLogP3.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-cycloheptyl-4,4,4-trifluoro-3-N-methylbutane-1,3-diamine
CID 43753188
3-[(3-amino-1,1,1-trifluoropropan-2-yl)-cyclobutylamino]propan-1-ol
CID 102859840
N'-cyclopentyl-N'-methyl-2-(trifluoromethyl)propane-1,3-diamine
CID 103366115
2-N-cyclopentyl-2-N,3,3-trimethylbutane-1,2-diamine
CID 61326826
2-N-(4-ethylcyclohexyl)-3,3,3-trifluoro-2-N-methylpropane-1,2-diamine
CID 54948197
3-[cycloheptyl(methyl)amino]-4,4,4-trifluorobutanoic acid
CID 63069162
2-[cyclopentyl(propan-2-yl)amino]-3,3,3-trifluoropropan-1-ol
CID 176871800
2-amino-2-(dicyclohexylamino)acetonitrile
CID 67894602
2-N-(cyclopropylmethyl)-3,3,3-trifluoro-2-N-propylpropane-1,2-diamine
CID 43752757
N'-cyclopentyl-N',2-dimethylpropane-1,3-diamine
CID 43266901
2-N-cyclohexyl-2-N-ethylpropane-1,2-diamine
CID 16784373
N-cyclopentyl-N-methyl-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 43266992

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dicyclohexyl-3,3,3-trifluoropropane-1,2-diamine?
The IUPAC name of 2-N,2-N-dicyclohexyl-3,3,3-trifluoropropane-1,2-diamine (CID 43752659) is 2-N,2-N-dicyclohexyl-3,3,3-trifluoropropane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-dicyclohexyl-3,3,3-trifluoropropane-1,2-diamine?
The canonical SMILES for 2-N,2-N-dicyclohexyl-3,3,3-trifluoropropane-1,2-diamine is NCC(N(C1CCCCC1)C1CCCCC1)C(F)(F)F.
What is the InChIKey of 2-N,2-N-dicyclohexyl-3,3,3-trifluoropropane-1,2-diamine?
The InChIKey is CQWVUVHITQWMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2/c16-15(17,18)14(11-19)20(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h12-14H,1-11,19H2.
What are the key properties of 2-N,2-N-dicyclohexyl-3,3,3-trifluoropropane-1,2-diamine?
2-N,2-N-dicyclohexyl-3,3,3-trifluoropropane-1,2-diamine has a molecular weight of 292.39 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dicyclohexyl-3,3,3-trifluoropropane-1,2-diamine is sourced from PubChem (CID 43752659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).