N'-cyclohexyl-N-[(3-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine

C17H27FN2 — CID 60733037

IUPACN'-cyclohexyl-N-[(3-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine
SMILESCN(CCCNCc1cccc(F)c1)C1CCCCC1
InChIInChI=1S/C17H27FN2/c1-20(17-9-3-2-4-10-17)12-6-11-19-14-15-7-5-8-16(18)13-15/h5,7-8,13,17,19H,2-4,6,9-12,14H2,1H3
InChIKeyUGFJFIVFSZKDGF-UHFFFAOYSA-N
MW278.41 g/mol
LogP3.57
Rot. Bonds7

About N'-cyclohexyl-N-[(3-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine

N'-cyclohexyl-N-[(3-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine (PubChem CID 60733037) has the molecular formula C17H27FN2 and a molecular weight of 278.41 g/mol. Its IUPAC name is N'-cyclohexyl-N-[(3-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N-[(3-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine
PubChem CID60733037
Molecular FormulaC17H27FN2
Molecular Weight278.41 g/mol
Exact Mass278.22
IUPAC NameN'-cyclohexyl-N-[(3-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine
SMILESCN(CCCNCc1cccc(F)c1)C1CCCCC1
InChIInChI=1S/C17H27FN2/c1-20(17-9-3-2-4-10-17)12-6-11-19-14-15-7-5-8-16(18)13-15/h5,7-8,13,17,19H,2-4,6,9-12,14H2,1H3
InChIKeyUGFJFIVFSZKDGF-UHFFFAOYSA-N
XLogP3.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.41
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]benzonitrile
CID 60732885
N'-cyclohexyl-N-[(2,6-difluorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 60980291
N'-cyclohexyl-N-[(3,5-dimethylphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 63451944
1-[2-[cyclohexyl(methyl)amino]ethyl]-3-[(3-fluorophenyl)methyl]-2-methylguanidine
CID 111877735
N'-cyclohexyl-N'-methyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 60733454
3-[(3-fluorophenyl)methylamino]propan-1-ol
CID 28714303
N'-cyclohexyl-N-[(1-ethylpyrrol-3-yl)methyl]-N'-methylpropane-1,3-diamine
CID 66413997
N-[(6-bromo-2-pyridinyl)methyl]-N'-cyclohexyl-N'-methylpropane-1,3-diamine
CID 115938175
N-(cyclopentylmethyl)-N'-[(3-fluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 62573436
N-[5-[cyclohexyl(methyl)amino]pentyl]-3-fluorobenzamide
CID 110444026
N-[(3-fluorophenyl)methyl]-3-(4-methylpiperidin-1-yl)propan-1-amine
CID 28679808
2-[(3-fluorophenyl)methylamino]ethanol
CID 10866749

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N-[(3-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-cyclohexyl-N-[(3-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine (CID 60733037) is N'-cyclohexyl-N-[(3-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-cyclohexyl-N-[(3-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-cyclohexyl-N-[(3-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine is CN(CCCNCc1cccc(F)c1)C1CCCCC1.
What is the InChIKey of N'-cyclohexyl-N-[(3-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine?
The InChIKey is UGFJFIVFSZKDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-20(17-9-3-2-4-10-17)12-6-11-19-14-15-7-5-8-16(18)13-15/h5,7-8,13,17,19H,2-4,6,9-12,14H2,1H3.
What are the key properties of N'-cyclohexyl-N-[(3-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine?
N'-cyclohexyl-N-[(3-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine has a molecular weight of 278.41 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N-[(3-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 60733037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).