4-N,4-N-dicyclopropylcyclohexane-1,4-diamine;bis(2,2,2-trifluoroacetic acid)

C16H24F6N2O4 — CID 87423928

IUPAC4-N,4-N-dicyclopropylcyclohexane-1,4-diamine;bis(2,2,2-trifluoroacetic acid)
SMILESNC1CCC(N(C2CC2)C2CC2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C12H22N2.2C2HF3O2/c13-9-1-3-10(4-2-9)14(11-5-6-11)12-7-8-12;2*3-2(4,5)1(6)7/h9-12H,1-8,13H2;2*(H,6,7)
InChIKeyVVPCYOJGWCXWQQ-UHFFFAOYSA-N
MW422.37 g/mol
LogP3.15
Rot. Bonds3

About 4-N,4-N-dicyclopropylcyclohexane-1,4-diamine;bis(2,2,2-trifluoroacetic acid)

4-N,4-N-dicyclopropylcyclohexane-1,4-diamine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 87423928) has the molecular formula C16H24F6N2O4 and a molecular weight of 422.37 g/mol. Its IUPAC name is 4-N,4-N-dicyclopropylcyclohexane-1,4-diamine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name4-N,4-N-dicyclopropylcyclohexane-1,4-diamine;bis(2,2,2-trifluoroacetic acid)
PubChem CID87423928
Molecular FormulaC16H24F6N2O4
Molecular Weight422.37 g/mol
Exact Mass422.16
IUPAC Name4-N,4-N-dicyclopropylcyclohexane-1,4-diamine;bis(2,2,2-trifluoroacetic acid)
SMILESNC1CCC(N(C2CC2)C2CC2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C12H22N2.2C2HF3O2/c13-9-1-3-10(4-2-9)14(11-5-6-11)12-7-8-12;2*3-2(4,5)1(6)7/h9-12H,1-8,13H2;2*(H,6,7)
InChIKeyVVPCYOJGWCXWQQ-UHFFFAOYSA-N
XLogP3.15
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.37
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-N,4-N-dicyclopropylcyclohexane-1,4-diamine;bis(2,2,2-trifluoroacetic acid) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-cyclopropylcyclohexane-1,4-diamine;bis(2,2,2-trifluoroacetic acid)
CID 87424022
1-N,4-N-dicyclopropylcyclohexane-1,4-diamine;bis(2,2,2-trifluoroacetic acid)
CID 157781748
Tris(2,2,2-trifluoroacetic acid);4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclohexan-1-amine
CID 176177659
4-(4-Cyclopropylpiperazin-1-yl)cyclohexan-1-amine;tris(2,2,2-trifluoroacetic acid)
CID 176177690
4-[4-(2,2-Difluoroethyl)piperazin-1-yl]cyclohexan-1-amine;tris(2,2,2-trifluoroacetic acid)
CID 176177724
(1s,4s)-N1,N1-dimethylcyclohexane-1,4-diamine; bis(trifluoroacetic acid)
CID 154578353

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dicyclopropylcyclohexane-1,4-diamine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 4-N,4-N-dicyclopropylcyclohexane-1,4-diamine;bis(2,2,2-trifluoroacetic acid) (CID 87423928) is 4-N,4-N-dicyclopropylcyclohexane-1,4-diamine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 4-N,4-N-dicyclopropylcyclohexane-1,4-diamine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 4-N,4-N-dicyclopropylcyclohexane-1,4-diamine;bis(2,2,2-trifluoroacetic acid) is NC1CCC(N(C2CC2)C2CC2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 4-N,4-N-dicyclopropylcyclohexane-1,4-diamine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is VVPCYOJGWCXWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2.2C2HF3O2/c13-9-1-3-10(4-2-9)14(11-5-6-11)12-7-8-12;2*3-2(4,5)1(6)7/h9-12H,1-8,13H2;2*(H,6,7).
What are the key properties of 4-N,4-N-dicyclopropylcyclohexane-1,4-diamine;bis(2,2,2-trifluoroacetic acid)?
4-N,4-N-dicyclopropylcyclohexane-1,4-diamine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 422.37 g/mol, XLogP of 3.15, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dicyclopropylcyclohexane-1,4-diamine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 87423928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).