N'-cycloheptyl-N'-(3-fluorophenyl)propane-1,3-diamine

C16H25FN2 — CID 82927448

IUPACN'-cycloheptyl-N'-(3-fluorophenyl)propane-1,3-diamine
SMILESNCCCN(c1cccc(F)c1)C1CCCCCC1
InChIInChI=1S/C16H25FN2/c17-14-7-5-10-16(13-14)19(12-6-11-18)15-8-3-1-2-4-9-15/h5,7,10,13,15H,1-4,6,8-9,11-12,18H2
InChIKeyRIFFMCTUTYVTAS-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.70
Rot. Bonds5

About N'-cycloheptyl-N'-(3-fluorophenyl)propane-1,3-diamine

N'-cycloheptyl-N'-(3-fluorophenyl)propane-1,3-diamine (PubChem CID 82927448) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is N'-cycloheptyl-N'-(3-fluorophenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-cycloheptyl-N'-(3-fluorophenyl)propane-1,3-diamine
PubChem CID82927448
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC NameN'-cycloheptyl-N'-(3-fluorophenyl)propane-1,3-diamine
SMILESNCCCN(c1cccc(F)c1)C1CCCCCC1
InChIInChI=1S/C16H25FN2/c17-14-7-5-10-16(13-14)19(12-6-11-18)15-8-3-1-2-4-9-15/h5,7,10,13,15H,1-4,6,8-9,11-12,18H2
InChIKeyRIFFMCTUTYVTAS-UHFFFAOYSA-N
XLogP3.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-cyclohexyl-N'-(3-methoxyphenyl)propane-1,3-diamine
CID 43319153
3-[N-(3-aminopropyl)-3-fluoroanilino]azepan-2-one
CID 43319071
1-N,3-N-dibutyl-1-N,3-N-dicyclohexylbenzene-1,3-diamine
CID 69065368
N-(3-aminopropyl)-N-cycloheptyl-3-fluorobenzamide
CID 43319433
N'-cyclohexyl-N'-pyridin-4-ylpropane-1,3-diamine
CID 43137168
N'-cyclopentyl-N'-(3,5-difluoro-2-pyridinyl)propane-1,3-diamine
CID 112675387
4-[3-aminopropyl(cyclohexyl)amino]pyridine-2-carboxamide
CID 43517535
3-(3-amino-N-cyclobutylanilino)propan-1-ol
CID 102859259
N'-(oxan-4-yl)-N'-phenylpropane-1,3-diamine
CID 63935814
N'-cyclopropyl-N'-[(3-fluorophenyl)methyl]propane-1,3-diamine
CID 43137498
N'-[(3,5-difluorophenyl)methyl]-N'-(3-fluorophenyl)propane-1,3-diamine
CID 104530933
N-(3-aminopropyl)-N-cyclohexyl-2,5-difluorobenzamide
CID 43319379

Frequently Asked Questions

What is the IUPAC name of N'-cycloheptyl-N'-(3-fluorophenyl)propane-1,3-diamine?
The IUPAC name of N'-cycloheptyl-N'-(3-fluorophenyl)propane-1,3-diamine (CID 82927448) is N'-cycloheptyl-N'-(3-fluorophenyl)propane-1,3-diamine.
What is the SMILES notation for N'-cycloheptyl-N'-(3-fluorophenyl)propane-1,3-diamine?
The canonical SMILES for N'-cycloheptyl-N'-(3-fluorophenyl)propane-1,3-diamine is NCCCN(c1cccc(F)c1)C1CCCCCC1.
What is the InChIKey of N'-cycloheptyl-N'-(3-fluorophenyl)propane-1,3-diamine?
The InChIKey is RIFFMCTUTYVTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c17-14-7-5-10-16(13-14)19(12-6-11-18)15-8-3-1-2-4-9-15/h5,7,10,13,15H,1-4,6,8-9,11-12,18H2.
What are the key properties of N'-cycloheptyl-N'-(3-fluorophenyl)propane-1,3-diamine?
N'-cycloheptyl-N'-(3-fluorophenyl)propane-1,3-diamine has a molecular weight of 264.39 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cycloheptyl-N'-(3-fluorophenyl)propane-1,3-diamine is sourced from PubChem (CID 82927448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).