1-N-butyl-2-N-methyl-2-N-(pyridin-2-ylmethyl)propane-1,2-diamine

C14H25N3 — CID 55089385

IUPAC1-N-butyl-2-N-methyl-2-N-(pyridin-2-ylmethyl)propane-1,2-diamine
SMILESCCCCNCC(C)N(C)Cc1ccccn1
InChIInChI=1S/C14H25N3/c1-4-5-9-15-11-13(2)17(3)12-14-8-6-7-10-16-14/h6-8,10,13,15H,4-5,9,11-12H2,1-3H3
InChIKeyVMNCLLJDHQBGKX-UHFFFAOYSA-N
MW235.38 g/mol
LogP2.29
Rot. Bonds8

About 1-N-butyl-2-N-methyl-2-N-(pyridin-2-ylmethyl)propane-1,2-diamine

1-N-butyl-2-N-methyl-2-N-(pyridin-2-ylmethyl)propane-1,2-diamine (PubChem CID 55089385) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is 1-N-butyl-2-N-methyl-2-N-(pyridin-2-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-butyl-2-N-methyl-2-N-(pyridin-2-ylmethyl)propane-1,2-diamine
PubChem CID55089385
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC Name1-N-butyl-2-N-methyl-2-N-(pyridin-2-ylmethyl)propane-1,2-diamine
SMILESCCCCNCC(C)N(C)Cc1ccccn1
InChIInChI=1S/C14H25N3/c1-4-5-9-15-11-13(2)17(3)12-14-8-6-7-10-16-14/h6-8,10,13,15H,4-5,9,11-12H2,1-3H3
InChIKeyVMNCLLJDHQBGKX-UHFFFAOYSA-N
XLogP2.29
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 52.29
H-Bond Donors ≤ 51
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-N-(2-methylpropyl)-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 62433942
3-N-methyl-3-N-(pyridin-2-ylmethyl)butane-1,3-diamine
CID 60914164
1-N-(3-methoxypropyl)-2-N-methyl-2-N-(2-pyridin-2-ylethyl)propane-1,2-diamine
CID 62557319
1-N-cyclopropyl-4-N-methyl-4-N-(pyridin-2-ylmethyl)pentane-1,4-diamine
CID 62432306
2-N-ethyl-4-N-methyl-4-N-(pyridin-2-ylmethyl)pentane-2,4-diamine
CID 64706979
2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-pyridin-2-ylethyl)propane-1,2-diamine
CID 62417470
1-N,3-N,2-trimethyl-3-N-(pyridin-2-ylmethyl)butane-1,3-diamine
CID 79408815
2-N-[(2-bromophenyl)methyl]-2-N-methyl-1-N-pentylpropane-1,2-diamine
CID 63503088
3-[methyl(pyridin-2-ylmethyl)amino]butanethioamide
CID 60914342
2-N-cyclopropyl-2-N-methyl-1-N-(2-pyridin-2-ylethyl)propane-1,2-diamine
CID 114133382
2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]-1-N-pentylpropane-1,2-diamine
CID 55144619
4-[methyl(pyridin-2-ylmethyl)amino]pentanehydrazide
CID 63572365

Frequently Asked Questions

What is the IUPAC name of 1-N-butyl-2-N-methyl-2-N-(pyridin-2-ylmethyl)propane-1,2-diamine?
The IUPAC name of 1-N-butyl-2-N-methyl-2-N-(pyridin-2-ylmethyl)propane-1,2-diamine (CID 55089385) is 1-N-butyl-2-N-methyl-2-N-(pyridin-2-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for 1-N-butyl-2-N-methyl-2-N-(pyridin-2-ylmethyl)propane-1,2-diamine?
The canonical SMILES for 1-N-butyl-2-N-methyl-2-N-(pyridin-2-ylmethyl)propane-1,2-diamine is CCCCNCC(C)N(C)Cc1ccccn1.
What is the InChIKey of 1-N-butyl-2-N-methyl-2-N-(pyridin-2-ylmethyl)propane-1,2-diamine?
The InChIKey is VMNCLLJDHQBGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-4-5-9-15-11-13(2)17(3)12-14-8-6-7-10-16-14/h6-8,10,13,15H,4-5,9,11-12H2,1-3H3.
What are the key properties of 1-N-butyl-2-N-methyl-2-N-(pyridin-2-ylmethyl)propane-1,2-diamine?
1-N-butyl-2-N-methyl-2-N-(pyridin-2-ylmethyl)propane-1,2-diamine has a molecular weight of 235.38 g/mol, XLogP of 2.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butyl-2-N-methyl-2-N-(pyridin-2-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 55089385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).