N-[(4,4-difluorocyclohexyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine

C16H27F2N3 — CID 105148897

IUPACN-[(4,4-difluorocyclohexyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1nccn1CCC)C1CCC(F)(F)CC1
InChIInChI=1S/C16H27F2N3/c1-3-9-19-14(13-5-7-16(17,18)8-6-13)15-20-10-12-21(15)11-4-2/h10,12-14,19H,3-9,11H2,1-2H3
InChIKeyQKINRBFSOGNLOS-UHFFFAOYSA-N
MW299.41 g/mol
LogP4.16
Rot. Bonds7

About N-[(4,4-difluorocyclohexyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine

N-[(4,4-difluorocyclohexyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine (PubChem CID 105148897) has the molecular formula C16H27F2N3 and a molecular weight of 299.41 g/mol. Its IUPAC name is N-[(4,4-difluorocyclohexyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4,4-difluorocyclohexyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
PubChem CID105148897
Molecular FormulaC16H27F2N3
Molecular Weight299.41 g/mol
Exact Mass299.22
IUPAC NameN-[(4,4-difluorocyclohexyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1nccn1CCC)C1CCC(F)(F)CC1
InChIInChI=1S/C16H27F2N3/c1-3-9-19-14(13-5-7-16(17,18)8-6-13)15-20-10-12-21(15)11-4-2/h10,12-14,19H,3-9,11H2,1-2H3
InChIKeyQKINRBFSOGNLOS-UHFFFAOYSA-N
XLogP4.16
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4,4-difluorocyclohexyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4,4-difluorocyclohexyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4,4-difluorocyclohexyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine (CID 105148897) is N-[(4,4-difluorocyclohexyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4,4-difluorocyclohexyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4,4-difluorocyclohexyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine is CCCNC(c1nccn1CCC)C1CCC(F)(F)CC1.
What is the InChIKey of N-[(4,4-difluorocyclohexyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine?
The InChIKey is QKINRBFSOGNLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F2N3/c1-3-9-19-14(13-5-7-16(17,18)8-6-13)15-20-10-12-21(15)11-4-2/h10,12-14,19H,3-9,11H2,1-2H3.
What are the key properties of N-[(4,4-difluorocyclohexyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine?
N-[(4,4-difluorocyclohexyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine has a molecular weight of 299.41 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,4-difluorocyclohexyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 105148897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).