N'-cyclopropyl-N'-(cyclopropylmethyl)-1-(3-fluorophenyl)-N-methylpropane-1,3-diamine

C17H25FN2 — CID 64521664

IUPACN'-cyclopropyl-N'-(cyclopropylmethyl)-1-(3-fluorophenyl)-N-methylpropane-1,3-diamine
SMILESCNC(CCN(CC1CC1)C1CC1)c1cccc(F)c1
InChIInChI=1S/C17H25FN2/c1-19-17(14-3-2-4-15(18)11-14)9-10-20(16-7-8-16)12-13-5-6-13/h2-4,11,13,16-17,19H,5-10,12H2,1H3
InChIKeyOEBUUODXJMBKIF-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.35
Rot. Bonds8

About N'-cyclopropyl-N'-(cyclopropylmethyl)-1-(3-fluorophenyl)-N-methylpropane-1,3-diamine

N'-cyclopropyl-N'-(cyclopropylmethyl)-1-(3-fluorophenyl)-N-methylpropane-1,3-diamine (PubChem CID 64521664) has the molecular formula C17H25FN2 and a molecular weight of 276.40 g/mol. Its IUPAC name is N'-cyclopropyl-N'-(cyclopropylmethyl)-1-(3-fluorophenyl)-N-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-(cyclopropylmethyl)-1-(3-fluorophenyl)-N-methylpropane-1,3-diamine
PubChem CID64521664
Molecular FormulaC17H25FN2
Molecular Weight276.40 g/mol
Exact Mass276.20
IUPAC NameN'-cyclopropyl-N'-(cyclopropylmethyl)-1-(3-fluorophenyl)-N-methylpropane-1,3-diamine
SMILESCNC(CCN(CC1CC1)C1CC1)c1cccc(F)c1
InChIInChI=1S/C17H25FN2/c1-19-17(14-3-2-4-15(18)11-14)9-10-20(16-7-8-16)12-13-5-6-13/h2-4,11,13,16-17,19H,5-10,12H2,1H3
InChIKeyOEBUUODXJMBKIF-UHFFFAOYSA-N
XLogP3.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-cyclopropyl-N'-(cyclopropylmethyl)-1-(4-fluorophenyl)-N-methylpropane-1,3-diamine
CID 64521860
N'-(cyclohexylmethyl)-1-(3-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine
CID 62644204
1-(3-fluorophenyl)-N,N'-dimethyl-N'-(4-methylcyclohexyl)propane-1,3-diamine
CID 62643009
1-(3-fluorophenyl)-N,N'-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 63274437
1-(3-fluorophenyl)-N,N',N'-trimethylpropane-1,3-diamine
CID 62644803
N'-(cyclopropylmethyl)-N-ethyl-1-(3-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 62642941
1-(3-fluorophenyl)-N,N'-dimethyl-N'-(oxolan-3-yl)propane-1,3-diamine
CID 82744103
N'-cyclopropyl-N-methyl-N'-(3-methylbutyl)-1-(3-methylphenyl)propane-1,3-diamine
CID 78944157
2-[[3-(3-chlorophenyl)-3-(methylamino)propyl]-cyclopropylamino]ethanol
CID 55098754
N',N'-dibutyl-1-(3-fluorophenyl)-N-methylpropane-1,3-diamine
CID 63482175
N'-cyclopropyl-1-(4-fluorophenyl)-N-methyl-N'-propylpropane-1,3-diamine
CID 55098964
1-(4-bromo-2-chlorophenyl)-N'-cyclopropyl-N'-(cyclopropylmethyl)-N-methylpropane-1,3-diamine
CID 82776656

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-(cyclopropylmethyl)-1-(3-fluorophenyl)-N-methylpropane-1,3-diamine?
The IUPAC name of N'-cyclopropyl-N'-(cyclopropylmethyl)-1-(3-fluorophenyl)-N-methylpropane-1,3-diamine (CID 64521664) is N'-cyclopropyl-N'-(cyclopropylmethyl)-1-(3-fluorophenyl)-N-methylpropane-1,3-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-(cyclopropylmethyl)-1-(3-fluorophenyl)-N-methylpropane-1,3-diamine?
The canonical SMILES for N'-cyclopropyl-N'-(cyclopropylmethyl)-1-(3-fluorophenyl)-N-methylpropane-1,3-diamine is CNC(CCN(CC1CC1)C1CC1)c1cccc(F)c1.
What is the InChIKey of N'-cyclopropyl-N'-(cyclopropylmethyl)-1-(3-fluorophenyl)-N-methylpropane-1,3-diamine?
The InChIKey is OEBUUODXJMBKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2/c1-19-17(14-3-2-4-15(18)11-14)9-10-20(16-7-8-16)12-13-5-6-13/h2-4,11,13,16-17,19H,5-10,12H2,1H3.
What are the key properties of N'-cyclopropyl-N'-(cyclopropylmethyl)-1-(3-fluorophenyl)-N-methylpropane-1,3-diamine?
N'-cyclopropyl-N'-(cyclopropylmethyl)-1-(3-fluorophenyl)-N-methylpropane-1,3-diamine has a molecular weight of 276.40 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-(cyclopropylmethyl)-1-(3-fluorophenyl)-N-methylpropane-1,3-diamine is sourced from PubChem (CID 64521664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).