N-methyl-2-propan-2-yl-N'-(2-pyridin-3-ylethyl)propane-1,3-diamine

C14H25N3 — CID 115252913

IUPACN-methyl-2-propan-2-yl-N'-(2-pyridin-3-ylethyl)propane-1,3-diamine
SMILESCNCC(CNCCc1cccnc1)C(C)C
InChIInChI=1S/C14H25N3/c1-12(2)14(10-15-3)11-17-8-6-13-5-4-7-16-9-13/h4-5,7,9,12,14-15,17H,6,8,10-11H2,1-3H3
InChIKeyHYQHBJFXLHSJCG-UHFFFAOYSA-N
MW235.37 g/mol
LogP1.71
Rot. Bonds8

About N-methyl-2-propan-2-yl-N'-(2-pyridin-3-ylethyl)propane-1,3-diamine

N-methyl-2-propan-2-yl-N'-(2-pyridin-3-ylethyl)propane-1,3-diamine (PubChem CID 115252913) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is N-methyl-2-propan-2-yl-N'-(2-pyridin-3-ylethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN-methyl-2-propan-2-yl-N'-(2-pyridin-3-ylethyl)propane-1,3-diamine
PubChem CID115252913
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC NameN-methyl-2-propan-2-yl-N'-(2-pyridin-3-ylethyl)propane-1,3-diamine
SMILESCNCC(CNCCc1cccnc1)C(C)C
InChIInChI=1S/C14H25N3/c1-12(2)14(10-15-3)11-17-8-6-13-5-4-7-16-9-13/h4-5,7,9,12,14-15,17H,6,8,10-11H2,1-3H3
InChIKeyHYQHBJFXLHSJCG-UHFFFAOYSA-N
XLogP1.71
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-(2-pyridin-3-ylethoxy)propan-1-amine
CID 63262792
2-amino-3-(2-pyridin-3-ylethylamino)propanoic acid
CID 64584041
N-benzyl-2-pyridin-3-ylethanamine
CID 60761296
2-methyl-3-piperazin-1-yl-N-(2-pyridin-3-ylethyl)propan-1-amine
CID 115255405
1-(1-methoxypropan-2-yloxy)-3-(2-pyridin-3-ylethylamino)propan-2-ol
CID 106989465
N-[2-(3-methylbutoxy)ethyl]-2-pyridin-3-ylethanamine
CID 54956617
3-hydroxy-4-(2-pyridin-3-ylethylamino)butanoic acid
CID 103239880
N-methyl-14-pyridin-3-yltetradecan-1-amine
CID 11001217
N-(2,2-difluoroethyl)-3-pyridin-3-ylpropan-1-amine
CID 115407048
1-(3-methylphenoxy)-3-(2-pyridin-3-ylethylamino)propan-2-ol
CID 60908884
2-(4-fluorophenyl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 55168633
1-N,2-N-dimethyl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine
CID 62432857

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-propan-2-yl-N'-(2-pyridin-3-ylethyl)propane-1,3-diamine?
The IUPAC name of N-methyl-2-propan-2-yl-N'-(2-pyridin-3-ylethyl)propane-1,3-diamine (CID 115252913) is N-methyl-2-propan-2-yl-N'-(2-pyridin-3-ylethyl)propane-1,3-diamine.
What is the SMILES notation for N-methyl-2-propan-2-yl-N'-(2-pyridin-3-ylethyl)propane-1,3-diamine?
The canonical SMILES for N-methyl-2-propan-2-yl-N'-(2-pyridin-3-ylethyl)propane-1,3-diamine is CNCC(CNCCc1cccnc1)C(C)C.
What is the InChIKey of N-methyl-2-propan-2-yl-N'-(2-pyridin-3-ylethyl)propane-1,3-diamine?
The InChIKey is HYQHBJFXLHSJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-12(2)14(10-15-3)11-17-8-6-13-5-4-7-16-9-13/h4-5,7,9,12,14-15,17H,6,8,10-11H2,1-3H3.
What are the key properties of N-methyl-2-propan-2-yl-N'-(2-pyridin-3-ylethyl)propane-1,3-diamine?
N-methyl-2-propan-2-yl-N'-(2-pyridin-3-ylethyl)propane-1,3-diamine has a molecular weight of 235.37 g/mol, XLogP of 1.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-propan-2-yl-N'-(2-pyridin-3-ylethyl)propane-1,3-diamine is sourced from PubChem (CID 115252913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).