N-(2-methyl-2-pyridin-3-ylpropyl)-N'-propan-2-ylethane-1,2-diamine

C14H25N3 — CID 115206679

IUPACN-(2-methyl-2-pyridin-3-ylpropyl)-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)NCCNCC(C)(C)c1cccnc1
InChIInChI=1S/C14H25N3/c1-12(2)17-9-8-16-11-14(3,4)13-6-5-7-15-10-13/h5-7,10,12,16-17H,8-9,11H2,1-4H3
InChIKeyMXKJEKCEZFSYQW-UHFFFAOYSA-N
MW235.38 g/mol
LogP1.95
Rot. Bonds7

About N-(2-methyl-2-pyridin-3-ylpropyl)-N'-propan-2-ylethane-1,2-diamine

N-(2-methyl-2-pyridin-3-ylpropyl)-N'-propan-2-ylethane-1,2-diamine (PubChem CID 115206679) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is N-(2-methyl-2-pyridin-3-ylpropyl)-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-methyl-2-pyridin-3-ylpropyl)-N'-propan-2-ylethane-1,2-diamine
PubChem CID115206679
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC NameN-(2-methyl-2-pyridin-3-ylpropyl)-N'-propan-2-ylethane-1,2-diamine
SMILESCC(C)NCCNCC(C)(C)c1cccnc1
InChIInChI=1S/C14H25N3/c1-12(2)17-9-8-16-11-14(3,4)13-6-5-7-15-10-13/h5-7,10,12,16-17H,8-9,11H2,1-4H3
InChIKeyMXKJEKCEZFSYQW-UHFFFAOYSA-N
XLogP1.95
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 51.95
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-(chloromethyl)-2-methyl-2-pyridin-3-ylpropan-1-amine
CID 115263711
4-[(2-methyl-2-pyridin-3-ylpropyl)amino]butanoic acid
CID 115218841
2-methyl-3-[(2-methyl-2-pyridin-3-ylpropyl)amino]propanoic acid
CID 115219667
1-N-(2-methyl-2-pyridin-3-ylpropyl)butane-1,2-diamine
CID 170754515
methyl 4-[(2-methyl-2-pyridin-3-ylpropyl)amino]butanoate
CID 115233553
N-[2-methyl-2-(2-methylphenyl)propyl]-N'-propan-2-ylethane-1,2-diamine
CID 115206673
2-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]-2-pyridin-3-ylpropan-1-amine
CID 115246344
2-(methylamino)-3-[(2-methyl-2-pyridin-3-ylpropyl)amino]propanoic acid
CID 115256328
4-methyl-4-pyridin-3-ylpentan-2-ol
CID 64716407
3,3-dimethyl-N-propan-2-yl-4-pyridin-3-ylbutan-1-amine
CID 104737370
2-methyl-N-propan-2-yl-2-pyridin-4-ylpropan-1-amine
CID 80525312
2-methyl-N-(piperidin-4-ylmethyl)-2-pyridin-3-ylpropan-1-amine
CID 115210078

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-pyridin-3-ylpropyl)-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N-(2-methyl-2-pyridin-3-ylpropyl)-N'-propan-2-ylethane-1,2-diamine (CID 115206679) is N-(2-methyl-2-pyridin-3-ylpropyl)-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-(2-methyl-2-pyridin-3-ylpropyl)-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N-(2-methyl-2-pyridin-3-ylpropyl)-N'-propan-2-ylethane-1,2-diamine is CC(C)NCCNCC(C)(C)c1cccnc1.
What is the InChIKey of N-(2-methyl-2-pyridin-3-ylpropyl)-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is MXKJEKCEZFSYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-12(2)17-9-8-16-11-14(3,4)13-6-5-7-15-10-13/h5-7,10,12,16-17H,8-9,11H2,1-4H3.
What are the key properties of N-(2-methyl-2-pyridin-3-ylpropyl)-N'-propan-2-ylethane-1,2-diamine?
N-(2-methyl-2-pyridin-3-ylpropyl)-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 235.38 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-pyridin-3-ylpropyl)-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 115206679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).