2-methyl-N'-(2-methyl-2-pyridin-2-ylpropyl)butane-1,4-diamine

C14H25N3 — CID 115203531

IUPAC2-methyl-N'-(2-methyl-2-pyridin-2-ylpropyl)butane-1,4-diamine
SMILESCC(CN)CCNCC(C)(C)c1ccccn1
InChIInChI=1S/C14H25N3/c1-12(10-15)7-9-16-11-14(2,3)13-6-4-5-8-17-13/h4-6,8,12,16H,7,9-11,15H2,1-3H3
InChIKeyZUGWRXKOMIFMFH-UHFFFAOYSA-N
MW235.38 g/mol
LogP1.93
Rot. Bonds7

About 2-methyl-N'-(2-methyl-2-pyridin-2-ylpropyl)butane-1,4-diamine

2-methyl-N'-(2-methyl-2-pyridin-2-ylpropyl)butane-1,4-diamine (PubChem CID 115203531) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is 2-methyl-N'-(2-methyl-2-pyridin-2-ylpropyl)butane-1,4-diamine.

Molecular Properties

Compound Name2-methyl-N'-(2-methyl-2-pyridin-2-ylpropyl)butane-1,4-diamine
PubChem CID115203531
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC Name2-methyl-N'-(2-methyl-2-pyridin-2-ylpropyl)butane-1,4-diamine
SMILESCC(CN)CCNCC(C)(C)c1ccccn1
InChIInChI=1S/C14H25N3/c1-12(10-15)7-9-16-11-14(2,3)13-6-4-5-8-17-13/h4-6,8,12,16H,7,9-11,15H2,1-3H3
InChIKeyZUGWRXKOMIFMFH-UHFFFAOYSA-N
XLogP1.93
TPSA50.94 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 ≤ 51.93
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-(bromomethyl)-2-methyl-2-pyridin-2-ylpropan-1-amine
CID 115262628
3-methyl-3-N-(2-methyl-2-pyridin-2-ylpropyl)butane-1,3-diamine
CID 115135085
2-methyl-2-N-(2-methyl-2-pyridin-2-ylpropyl)propane-1,2-diamine
CID 115132375
3-[(2-methyl-2-pyridin-2-ylpropyl)amino]propane-1,2-diol
CID 115122517
N'-[2-(5-bromothiophen-2-yl)-2-methylpropyl]-2-methylbutane-1,4-diamine
CID 115203520
2-methyl-2-pyridin-2-yl-N-(2-pyrrolidin-2-ylethyl)propan-1-amine
CID 115210518
N'-[2-(5-bromo-2-fluorophenyl)-2-methylpropyl]-2-methylbutane-1,4-diamine
CID 115203524
2-pyridin-2-ylbutane-2,3-diamine
CID 87362021
3-methyl-3-pyridin-2-ylbutanamide
CID 67998308
5-methyl-5-pyridin-2-ylhexane-1,4-diamine
CID 90694165
2-methyl-N'-[2-(2-methylphenyl)ethyl]butane-1,4-diamine
CID 115203419
2-methyl-N-(morpholin-3-ylmethyl)-2-pyridin-2-ylpropan-1-amine
CID 115238220

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-(2-methyl-2-pyridin-2-ylpropyl)butane-1,4-diamine?
The IUPAC name of 2-methyl-N'-(2-methyl-2-pyridin-2-ylpropyl)butane-1,4-diamine (CID 115203531) is 2-methyl-N'-(2-methyl-2-pyridin-2-ylpropyl)butane-1,4-diamine.
What is the SMILES notation for 2-methyl-N'-(2-methyl-2-pyridin-2-ylpropyl)butane-1,4-diamine?
The canonical SMILES for 2-methyl-N'-(2-methyl-2-pyridin-2-ylpropyl)butane-1,4-diamine is CC(CN)CCNCC(C)(C)c1ccccn1.
What is the InChIKey of 2-methyl-N'-(2-methyl-2-pyridin-2-ylpropyl)butane-1,4-diamine?
The InChIKey is ZUGWRXKOMIFMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-12(10-15)7-9-16-11-14(2,3)13-6-4-5-8-17-13/h4-6,8,12,16H,7,9-11,15H2,1-3H3.
What are the key properties of 2-methyl-N'-(2-methyl-2-pyridin-2-ylpropyl)butane-1,4-diamine?
2-methyl-N'-(2-methyl-2-pyridin-2-ylpropyl)butane-1,4-diamine has a molecular weight of 235.38 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-(2-methyl-2-pyridin-2-ylpropyl)butane-1,4-diamine is sourced from PubChem (CID 115203531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).