N'-(cyclopropylmethyl)-N'-ethyl-1-(5-fluoro-2-pyridinyl)-N-methylpropane-1,3-diamine

C15H24FN3 — CID 83126725

IUPACN'-(cyclopropylmethyl)-N'-ethyl-1-(5-fluoro-2-pyridinyl)-N-methylpropane-1,3-diamine
SMILESCCN(CCC(NC)c1ccc(F)cn1)CC1CC1
InChIInChI=1S/C15H24FN3/c1-3-19(11-12-4-5-12)9-8-14(17-2)15-7-6-13(16)10-18-15/h6-7,10,12,14,17H,3-5,8-9,11H2,1-2H3
InChIKeyVAZWDDOMQVYFGL-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.60
Rot. Bonds8

About N'-(cyclopropylmethyl)-N'-ethyl-1-(5-fluoro-2-pyridinyl)-N-methylpropane-1,3-diamine

N'-(cyclopropylmethyl)-N'-ethyl-1-(5-fluoro-2-pyridinyl)-N-methylpropane-1,3-diamine (PubChem CID 83126725) has the molecular formula C15H24FN3 and a molecular weight of 265.38 g/mol. Its IUPAC name is N'-(cyclopropylmethyl)-N'-ethyl-1-(5-fluoro-2-pyridinyl)-N-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(cyclopropylmethyl)-N'-ethyl-1-(5-fluoro-2-pyridinyl)-N-methylpropane-1,3-diamine
PubChem CID83126725
Molecular FormulaC15H24FN3
Molecular Weight265.38 g/mol
Exact Mass265.20
IUPAC NameN'-(cyclopropylmethyl)-N'-ethyl-1-(5-fluoro-2-pyridinyl)-N-methylpropane-1,3-diamine
SMILESCCN(CCC(NC)c1ccc(F)cn1)CC1CC1
InChIInChI=1S/C15H24FN3/c1-3-19(11-12-4-5-12)9-8-14(17-2)15-7-6-13(16)10-18-15/h6-7,10,12,14,17H,3-5,8-9,11H2,1-2H3
InChIKeyVAZWDDOMQVYFGL-UHFFFAOYSA-N
XLogP2.60
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(cyclopropylmethyl)-N'-ethyl-1-(5-fluoro-2-pyridinyl)propane-1,3-diamine
CID 83126650
N'-cyclohexyl-N'-ethyl-1-(5-fluoro-2-pyridinyl)-N-methylpropane-1,3-diamine
CID 83110520
N'-ethyl-1-(5-fluoro-2-pyridinyl)-N'-(furan-2-ylmethyl)-N-methylpropane-1,3-diamine
CID 83109122
N'-[2-(cyclopropylmethoxy)ethyl]-1-(5-fluoro-2-pyridinyl)-N,N'-dimethylpropane-1,3-diamine
CID 83111882
2-[[3-(5-fluoro-2-pyridinyl)-3-(methylamino)propyl]-methylamino]ethanol
CID 83126078
1-(5-fluoro-2-pyridinyl)-N-methyldecan-1-amine
CID 79712241
3-[cyclopropylmethyl(propyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
CID 115941544
1-(5-fluoro-2-pyridinyl)-N,N'-dimethyl-N'-(4-methylphenyl)propane-1,3-diamine
CID 83109313
N'-(cyclobutylmethyl)-N'-ethyl-N-methyl-1-(4-methylphenyl)propane-1,3-diamine
CID 107401665
5-[[3-(5-fluoro-2-pyridinyl)-3-(methylamino)propyl]-methylamino]pentan-1-ol
CID 107204696
3-(2,6-dimethylthiomorpholin-4-yl)-1-(5-fluoro-2-pyridinyl)-N-methylpropan-1-amine
CID 83126435
N'-benzyl-N'-ethyl-1-(5-fluoro-2-pyridinyl)-N-propylpropane-1,3-diamine
CID 113347329

Frequently Asked Questions

What is the IUPAC name of N'-(cyclopropylmethyl)-N'-ethyl-1-(5-fluoro-2-pyridinyl)-N-methylpropane-1,3-diamine?
The IUPAC name of N'-(cyclopropylmethyl)-N'-ethyl-1-(5-fluoro-2-pyridinyl)-N-methylpropane-1,3-diamine (CID 83126725) is N'-(cyclopropylmethyl)-N'-ethyl-1-(5-fluoro-2-pyridinyl)-N-methylpropane-1,3-diamine.
What is the SMILES notation for N'-(cyclopropylmethyl)-N'-ethyl-1-(5-fluoro-2-pyridinyl)-N-methylpropane-1,3-diamine?
The canonical SMILES for N'-(cyclopropylmethyl)-N'-ethyl-1-(5-fluoro-2-pyridinyl)-N-methylpropane-1,3-diamine is CCN(CCC(NC)c1ccc(F)cn1)CC1CC1.
What is the InChIKey of N'-(cyclopropylmethyl)-N'-ethyl-1-(5-fluoro-2-pyridinyl)-N-methylpropane-1,3-diamine?
The InChIKey is VAZWDDOMQVYFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN3/c1-3-19(11-12-4-5-12)9-8-14(17-2)15-7-6-13(16)10-18-15/h6-7,10,12,14,17H,3-5,8-9,11H2,1-2H3.
What are the key properties of N'-(cyclopropylmethyl)-N'-ethyl-1-(5-fluoro-2-pyridinyl)-N-methylpropane-1,3-diamine?
N'-(cyclopropylmethyl)-N'-ethyl-1-(5-fluoro-2-pyridinyl)-N-methylpropane-1,3-diamine has a molecular weight of 265.38 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopropylmethyl)-N'-ethyl-1-(5-fluoro-2-pyridinyl)-N-methylpropane-1,3-diamine is sourced from PubChem (CID 83126725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).