N'-methyl-N-(2-methylpropyl)-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine

C14H25N3 — CID 79267629

IUPACN'-methyl-N-(2-methylpropyl)-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
SMILESCc1cccc(CN(C)CCNCC(C)C)n1
InChIInChI=1S/C14H25N3/c1-12(2)10-15-8-9-17(4)11-14-7-5-6-13(3)16-14/h5-7,12,15H,8-11H2,1-4H3
InChIKeyMMIFEVSUBBRUQB-UHFFFAOYSA-N
MW235.38 g/mol
LogP2.07
Rot. Bonds7

About N'-methyl-N-(2-methylpropyl)-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine

N'-methyl-N-(2-methylpropyl)-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine (PubChem CID 79267629) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is N'-methyl-N-(2-methylpropyl)-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N-(2-methylpropyl)-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
PubChem CID79267629
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC NameN'-methyl-N-(2-methylpropyl)-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
SMILESCc1cccc(CN(C)CCNCC(C)C)n1
InChIInChI=1S/C14H25N3/c1-12(2)10-15-8-9-17(4)11-14-7-5-6-13(3)16-14/h5-7,12,15H,8-11H2,1-4H3
InChIKeyMMIFEVSUBBRUQB-UHFFFAOYSA-N
XLogP2.07
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 52.07
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

1-[methyl-[(6-methyl-2-pyridinyl)methyl]amino]-3-(2-methylpropylamino)propan-2-ol
CID 115475479
2-methyl-N-[[6-[[methyl(propyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106905697
N'-[(3-fluorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62418448
N-cyclohexyl-N'-methyl-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 79310631
N'-methyl-N'-[(6-methyl-2-pyridinyl)methyl]propane-1,3-diamine
CID 79267853
2-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]propan-1-amine
CID 79260632
N'-[(4-fluorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62413226
N'-methyl-N-(2-methylpropyl)-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 62433942
N'-[(5-bromo-2-pyridinyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 113409255
N'-[(3-bromo-2-fluorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 107951092
N'-methyl-N'-[2-(2-methylphenyl)ethyl]-N-(2-methylpropyl)ethane-1,2-diamine
CID 113409285
N,N'-diethyl-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 79267272

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(2-methylpropyl)-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-methyl-N-(2-methylpropyl)-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine (CID 79267629) is N'-methyl-N-(2-methylpropyl)-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N-(2-methylpropyl)-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N-(2-methylpropyl)-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine is Cc1cccc(CN(C)CCNCC(C)C)n1.
What is the InChIKey of N'-methyl-N-(2-methylpropyl)-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine?
The InChIKey is MMIFEVSUBBRUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-12(2)10-15-8-9-17(4)11-14-7-5-6-13(3)16-14/h5-7,12,15H,8-11H2,1-4H3.
What are the key properties of N'-methyl-N-(2-methylpropyl)-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine?
N'-methyl-N-(2-methylpropyl)-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine has a molecular weight of 235.38 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(2-methylpropyl)-N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 79267629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).