N-[(3-propylimidazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine

C14H22F3N3 — CID 66130357

IUPACN-[(3-propylimidazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCCCn1cncc1CNC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H22F3N3/c1-2-6-20-10-18-8-13(20)9-19-12-5-3-4-11(7-12)14(15,16)17/h8,10-12,19H,2-7,9H2,1H3
InChIKeyVYWCTHSJBJRODK-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.50
Rot. Bonds5

About N-[(3-propylimidazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine

N-[(3-propylimidazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 66130357) has the molecular formula C14H22F3N3 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-[(3-propylimidazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[(3-propylimidazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
PubChem CID66130357
Molecular FormulaC14H22F3N3
Molecular Weight289.34 g/mol
Exact Mass289.18
IUPAC NameN-[(3-propylimidazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
SMILESCCCn1cncc1CNC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H22F3N3/c1-2-6-20-10-18-8-13(20)9-19-12-5-3-4-11(7-12)14(15,16)17/h8,10-12,19H,2-7,9H2,1H3
InChIKeyVYWCTHSJBJRODK-UHFFFAOYSA-N
XLogP3.50
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-propylimidazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[(3-propylimidazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine (CID 66130357) is N-[(3-propylimidazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[(3-propylimidazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[(3-propylimidazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine is CCCn1cncc1CNC1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-[(3-propylimidazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is VYWCTHSJBJRODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3/c1-2-6-20-10-18-8-13(20)9-19-12-5-3-4-11(7-12)14(15,16)17/h8,10-12,19H,2-7,9H2,1H3.
What are the key properties of N-[(3-propylimidazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine?
N-[(3-propylimidazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 289.34 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-propylimidazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 66130357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).