2-N-methyl-1-phenyl-2-N-(pyridin-3-ylmethyl)butane-1,2-diamine

C17H23N3 — CID 43563291

IUPAC2-N-methyl-1-phenyl-2-N-(pyridin-3-ylmethyl)butane-1,2-diamine
SMILESCCC(C(N)c1ccccc1)N(C)Cc1cccnc1
InChIInChI=1S/C17H23N3/c1-3-16(17(18)15-9-5-4-6-10-15)20(2)13-14-8-7-11-19-12-14/h4-12,16-17H,3,13,18H2,1-2H3
InChIKeyVLKKPVUWUMDHEU-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.99
Rot. Bonds6

About 2-N-methyl-1-phenyl-2-N-(pyridin-3-ylmethyl)butane-1,2-diamine

2-N-methyl-1-phenyl-2-N-(pyridin-3-ylmethyl)butane-1,2-diamine (PubChem CID 43563291) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-N-methyl-1-phenyl-2-N-(pyridin-3-ylmethyl)butane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-1-phenyl-2-N-(pyridin-3-ylmethyl)butane-1,2-diamine
PubChem CID43563291
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name2-N-methyl-1-phenyl-2-N-(pyridin-3-ylmethyl)butane-1,2-diamine
SMILESCCC(C(N)c1ccccc1)N(C)Cc1cccnc1
InChIInChI=1S/C17H23N3/c1-3-16(17(18)15-9-5-4-6-10-15)20(2)13-14-8-7-11-19-12-14/h4-12,16-17H,3,13,18H2,1-2H3
InChIKeyVLKKPVUWUMDHEU-UHFFFAOYSA-N
XLogP2.99
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-methyl-1-phenyl-1-N-(pyridin-3-ylmethyl)propane-1,2-diamine
CID 55017455
(1S)-N-benzyl-N-methyl-1-pyridin-3-ylpropan-1-amine
CID 95121332
2-N-methyl-1-phenyl-2-N-(2-phenylethyl)butane-1,2-diamine
CID 65487407
1-N-methyl-1-N-(2-phenylethyl)-1-pyridin-3-ylbutane-1,2-diamine
CID 65483700
3-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid
CID 63067935
2-N-[3-(dimethylamino)propyl]-2-N-methyl-1-phenylbutane-1,2-diamine
CID 63695372
1-N,2-N-dimethyl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine
CID 62432857
(2S,3S)-2-amino-N,3-dimethyl-N-(pyridin-3-ylmethyl)pentanamide
CID 61155588
(1S)-2-methyl-1-pyridin-3-ylbutan-1-amine
CID 130856661
2-N-methyl-1-phenyl-2-N-propan-2-ylbutane-1,2-diamine
CID 43211372
2-N,3,3-trimethyl-2-N-(pyridin-3-ylmethyl)butane-1,2-diamine
CID 61324757
3-amino-N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)propanamide;dihydrochloride
CID 119958250

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-1-phenyl-2-N-(pyridin-3-ylmethyl)butane-1,2-diamine?
The IUPAC name of 2-N-methyl-1-phenyl-2-N-(pyridin-3-ylmethyl)butane-1,2-diamine (CID 43563291) is 2-N-methyl-1-phenyl-2-N-(pyridin-3-ylmethyl)butane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-1-phenyl-2-N-(pyridin-3-ylmethyl)butane-1,2-diamine?
The canonical SMILES for 2-N-methyl-1-phenyl-2-N-(pyridin-3-ylmethyl)butane-1,2-diamine is CCC(C(N)c1ccccc1)N(C)Cc1cccnc1.
What is the InChIKey of 2-N-methyl-1-phenyl-2-N-(pyridin-3-ylmethyl)butane-1,2-diamine?
The InChIKey is VLKKPVUWUMDHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-3-16(17(18)15-9-5-4-6-10-15)20(2)13-14-8-7-11-19-12-14/h4-12,16-17H,3,13,18H2,1-2H3.
What are the key properties of 2-N-methyl-1-phenyl-2-N-(pyridin-3-ylmethyl)butane-1,2-diamine?
2-N-methyl-1-phenyl-2-N-(pyridin-3-ylmethyl)butane-1,2-diamine has a molecular weight of 269.39 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-1-phenyl-2-N-(pyridin-3-ylmethyl)butane-1,2-diamine is sourced from PubChem (CID 43563291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).