1-N-methyl-1-N-(2-phenylethyl)-1-pyridin-3-ylbutane-1,2-diamine

C18H25N3 — CID 65483700

IUPAC1-N-methyl-1-N-(2-phenylethyl)-1-pyridin-3-ylbutane-1,2-diamine
SMILESCCC(N)C(c1cccnc1)N(C)CCc1ccccc1
InChIInChI=1S/C18H25N3/c1-3-17(19)18(16-10-7-12-20-14-16)21(2)13-11-15-8-5-4-6-9-15/h4-10,12,14,17-18H,3,11,13,19H2,1-2H3
InChIKeyFLSDBFAOFGCTEB-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.03
Rot. Bonds7

About 1-N-methyl-1-N-(2-phenylethyl)-1-pyridin-3-ylbutane-1,2-diamine

1-N-methyl-1-N-(2-phenylethyl)-1-pyridin-3-ylbutane-1,2-diamine (PubChem CID 65483700) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-N-methyl-1-N-(2-phenylethyl)-1-pyridin-3-ylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-1-N-(2-phenylethyl)-1-pyridin-3-ylbutane-1,2-diamine
PubChem CID65483700
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name1-N-methyl-1-N-(2-phenylethyl)-1-pyridin-3-ylbutane-1,2-diamine
SMILESCCC(N)C(c1cccnc1)N(C)CCc1ccccc1
InChIInChI=1S/C18H25N3/c1-3-17(19)18(16-10-7-12-20-14-16)21(2)13-11-15-8-5-4-6-9-15/h4-10,12,14,17-18H,3,11,13,19H2,1-2H3
InChIKeyFLSDBFAOFGCTEB-UHFFFAOYSA-N
XLogP3.03
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-methyl-1-N-(2-phenylethyl)-1-pyridin-4-ylbutane-1,2-diamine
CID 65482923
1-[(2-amino-1-pyridin-3-ylbutyl)-methylamino]propan-2-ol
CID 55061112
1-N-methyl-1-N-(2-phenylethyl)-1-pyridin-2-ylbutane-1,2-diamine
CID 65485650
1-N-methyl-1-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-pyridin-3-ylbutane-1,2-diamine
CID 63842261
(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
2-N-methyl-1-phenyl-2-N-(pyridin-3-ylmethyl)butane-1,2-diamine
CID 43563291
2-N-methyl-2-N-(2-pyridin-3-ylethyl)propane-1,2-diamine
CID 112708855
1-N-methyl-1-phenyl-1-N-(pyridin-3-ylmethyl)propane-1,2-diamine
CID 55017455
2-N-methyl-2-N-(2-pyridin-4-ylethyl)pentane-2,3-diamine
CID 60913377
1-N-methyl-1-N-(oxolan-3-yl)-1-pyridin-3-ylbutane-1,2-diamine
CID 82731850
2-N-methyl-1-phenyl-2-N-(2-phenylethyl)propane-1,2-diamine
CID 65486259

Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-1-N-(2-phenylethyl)-1-pyridin-3-ylbutane-1,2-diamine?
The IUPAC name of 1-N-methyl-1-N-(2-phenylethyl)-1-pyridin-3-ylbutane-1,2-diamine (CID 65483700) is 1-N-methyl-1-N-(2-phenylethyl)-1-pyridin-3-ylbutane-1,2-diamine.
What is the SMILES notation for 1-N-methyl-1-N-(2-phenylethyl)-1-pyridin-3-ylbutane-1,2-diamine?
The canonical SMILES for 1-N-methyl-1-N-(2-phenylethyl)-1-pyridin-3-ylbutane-1,2-diamine is CCC(N)C(c1cccnc1)N(C)CCc1ccccc1.
What is the InChIKey of 1-N-methyl-1-N-(2-phenylethyl)-1-pyridin-3-ylbutane-1,2-diamine?
The InChIKey is FLSDBFAOFGCTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-3-17(19)18(16-10-7-12-20-14-16)21(2)13-11-15-8-5-4-6-9-15/h4-10,12,14,17-18H,3,11,13,19H2,1-2H3.
What are the key properties of 1-N-methyl-1-N-(2-phenylethyl)-1-pyridin-3-ylbutane-1,2-diamine?
1-N-methyl-1-N-(2-phenylethyl)-1-pyridin-3-ylbutane-1,2-diamine has a molecular weight of 283.42 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-1-N-(2-phenylethyl)-1-pyridin-3-ylbutane-1,2-diamine is sourced from PubChem (CID 65483700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).