2,2-bis[(3-methyl-2-pyridinyl)methyl]propane-1,3-diamine

C17H24N4 — CID 154305051

IUPAC2,2-bis[(3-methyl-2-pyridinyl)methyl]propane-1,3-diamine
SMILESCc1cccnc1CC(CN)(CN)Cc1ncccc1C
InChIInChI=1S/C17H24N4/c1-13-5-3-7-20-15(13)9-17(11-18,12-19)10-16-14(2)6-4-8-21-16/h3-8H,9-12,18-19H2,1-2H3
InChIKeyIQYFCDUWEHZOAO-UHFFFAOYSA-N
MW284.41 g/mol
LogP1.78
Rot. Bonds6

About 2,2-bis[(3-methyl-2-pyridinyl)methyl]propane-1,3-diamine

2,2-bis[(3-methyl-2-pyridinyl)methyl]propane-1,3-diamine (PubChem CID 154305051) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 2,2-bis[(3-methyl-2-pyridinyl)methyl]propane-1,3-diamine.

Molecular Properties

Compound Name2,2-bis[(3-methyl-2-pyridinyl)methyl]propane-1,3-diamine
PubChem CID154305051
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name2,2-bis[(3-methyl-2-pyridinyl)methyl]propane-1,3-diamine
SMILESCc1cccnc1CC(CN)(CN)Cc1ncccc1C
InChIInChI=1S/C17H24N4/c1-13-5-3-7-20-15(13)9-17(11-18,12-19)10-16-14(2)6-4-8-21-16/h3-8H,9-12,18-19H2,1-2H3
InChIKeyIQYFCDUWEHZOAO-UHFFFAOYSA-N
XLogP1.78
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-(3-methyl-2-pyridinyl)propan-2-amine
CID 96849507
methyl 2-(aminomethyl)-2-methyl-3-(3-methyl-2-pyridinyl)propanoate
CID 106487890
2-(aminomethyl)-2-(4-methylphenyl)-3-(3-methyl-2-pyridinyl)propanoic acid
CID 106509265
2-methyl-2-[(3-methyl-2-pyridinyl)methoxy]butan-1-amine
CID 112649746
3-methyl-2-prop-2-enylpyridine
CID 18185591
3-methyl-2-[(3-methyl-2-pyridinyl)methoxymethyl]pyridine
CID 142776988
N,N-dimethyl-1-(3-methyl-2-pyridinyl)methanamine
CID 20666322
2-ethyl-2-N-[(3-methyl-2-pyridinyl)methyl]-2-N-propylbutane-1,2-diamine
CID 112649945
N-[3-(aminomethyl)pentan-3-yl]-2-(3-methyl-2-pyridinyl)acetamide
CID 107148441
2-[(3-methyl-2-pyridinyl)methylsulfonyl]ethanamine
CID 112651586
azane;2-butyl-3-methylpyridine
CID 175305988
N'-ethyl-N'-[(3-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 112649922

Frequently Asked Questions

What is the IUPAC name of 2,2-bis[(3-methyl-2-pyridinyl)methyl]propane-1,3-diamine?
The IUPAC name of 2,2-bis[(3-methyl-2-pyridinyl)methyl]propane-1,3-diamine (CID 154305051) is 2,2-bis[(3-methyl-2-pyridinyl)methyl]propane-1,3-diamine.
What is the SMILES notation for 2,2-bis[(3-methyl-2-pyridinyl)methyl]propane-1,3-diamine?
The canonical SMILES for 2,2-bis[(3-methyl-2-pyridinyl)methyl]propane-1,3-diamine is Cc1cccnc1CC(CN)(CN)Cc1ncccc1C.
What is the InChIKey of 2,2-bis[(3-methyl-2-pyridinyl)methyl]propane-1,3-diamine?
The InChIKey is IQYFCDUWEHZOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-13-5-3-7-20-15(13)9-17(11-18,12-19)10-16-14(2)6-4-8-21-16/h3-8H,9-12,18-19H2,1-2H3.
What are the key properties of 2,2-bis[(3-methyl-2-pyridinyl)methyl]propane-1,3-diamine?
2,2-bis[(3-methyl-2-pyridinyl)methyl]propane-1,3-diamine has a molecular weight of 284.41 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis[(3-methyl-2-pyridinyl)methyl]propane-1,3-diamine is sourced from PubChem (CID 154305051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).