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

C13H20F6N2O4 — CID 87424022

IUPAC4-N-cyclopropylcyclohexane-1,4-diamine;bis(2,2,2-trifluoroacetic acid)
SMILESNC1CCC(NC2CC2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C9H18N2.2C2HF3O2/c10-7-1-3-8(4-2-7)11-9-5-6-9;2*3-2(4,5)1(6)7/h7-9,11H,1-6,10H2;2*(H,6,7)
InChIKeyLCBBDLFRXFYQOS-UHFFFAOYSA-N
MW382.30 g/mol
LogP2.27
Rot. Bonds2

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

4-N-cyclopropylcyclohexane-1,4-diamine;bis(2,2,2-trifluoroacetic acid) (PubChem CID 87424022) has the molecular formula C13H20F6N2O4 and a molecular weight of 382.30 g/mol. Its IUPAC name is 4-N-cyclopropylcyclohexane-1,4-diamine;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name4-N-cyclopropylcyclohexane-1,4-diamine;bis(2,2,2-trifluoroacetic acid)
PubChem CID87424022
Molecular FormulaC13H20F6N2O4
Molecular Weight382.30 g/mol
Exact Mass382.13
IUPAC Name4-N-cyclopropylcyclohexane-1,4-diamine;bis(2,2,2-trifluoroacetic acid)
SMILESNC1CCC(NC2CC2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C9H18N2.2C2HF3O2/c10-7-1-3-8(4-2-7)11-9-5-6-9;2*3-2(4,5)1(6)7/h7-9,11H,1-6,10H2;2*(H,6,7)
InChIKeyLCBBDLFRXFYQOS-UHFFFAOYSA-N
XLogP2.27
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.30
LogP ≤ 52.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexylcyclohexanamine;2,2,2-trifluoroacetic acid
CID 46832469
4,4-difluoro-N-methylcyclohexan-1-amine;2,2,2-trifluoroacetic acid
CID 85846278
4-N,4-N-dicyclopropylcyclohexane-1,4-diamine;bis(2,2,2-trifluoroacetic acid)
CID 87423928
N-cyclopropylpiperidin-4-amine;2,2,2-trifluoroacetic acid
CID 87891043
1-N,4-N-dicyclopropylcyclohexane-1,4-diamine;bis(2,2,2-trifluoroacetic acid)
CID 157781748
N-propan-2-ylcyclohexanamine;2,2,2-trifluoroacetic acid
CID 174749910
N-butylcyclohexanamine;2,2,2-trifluoroacetic acid
CID 174841593
N-propylcyclohexanamine;2,2,2-trifluoroacetic acid
CID 174842081
4-(4-Cyclopropylpiperazin-1-yl)cyclohexan-1-amine;tris(2,2,2-trifluoroacetic acid)
CID 176177690
(1s,4s)-N1,N1-dimethylcyclohexane-1,4-diamine; bis(trifluoroacetic acid)
CID 154578353
N-methylcyclohexanamine;2,2,2-trifluoroacetic acid
CID 178871788

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropylcyclohexane-1,4-diamine;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 4-N-cyclopropylcyclohexane-1,4-diamine;bis(2,2,2-trifluoroacetic acid) (CID 87424022) is 4-N-cyclopropylcyclohexane-1,4-diamine;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 4-N-cyclopropylcyclohexane-1,4-diamine;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 4-N-cyclopropylcyclohexane-1,4-diamine;bis(2,2,2-trifluoroacetic acid) is NC1CCC(NC2CC2)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 4-N-cyclopropylcyclohexane-1,4-diamine;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is LCBBDLFRXFYQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2.2C2HF3O2/c10-7-1-3-8(4-2-7)11-9-5-6-9;2*3-2(4,5)1(6)7/h7-9,11H,1-6,10H2;2*(H,6,7).
What are the key properties of 4-N-cyclopropylcyclohexane-1,4-diamine;bis(2,2,2-trifluoroacetic acid)?
4-N-cyclopropylcyclohexane-1,4-diamine;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 382.30 g/mol, XLogP of 2.27, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropylcyclohexane-1,4-diamine;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 87424022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).