2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-pyridin-2-ylethyl)pentane-1,2-diamine

C17H31N3 — CID 83042410

IUPAC2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-pyridin-2-ylethyl)pentane-1,2-diamine
SMILESCCCC(CNCC(C)C)N(C)CCc1ccccn1
InChIInChI=1S/C17H31N3/c1-5-8-17(14-18-13-15(2)3)20(4)12-10-16-9-6-7-11-19-16/h6-7,9,11,15,17-18H,5,8,10,12-14H2,1-4H3
InChIKeyUXQUMXNWAWVMRS-UHFFFAOYSA-N
MW277.46 g/mol
LogP2.97
Rot. Bonds10

About 2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-pyridin-2-ylethyl)pentane-1,2-diamine

2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-pyridin-2-ylethyl)pentane-1,2-diamine (PubChem CID 83042410) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-pyridin-2-ylethyl)pentane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-pyridin-2-ylethyl)pentane-1,2-diamine
PubChem CID83042410
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-pyridin-2-ylethyl)pentane-1,2-diamine
SMILESCCCC(CNCC(C)C)N(C)CCc1ccccn1
InChIInChI=1S/C17H31N3/c1-5-8-17(14-18-13-15(2)3)20(4)12-10-16-9-6-7-11-19-16/h6-7,9,11,15,17-18H,5,8,10,12-14H2,1-4H3
InChIKeyUXQUMXNWAWVMRS-UHFFFAOYSA-N
XLogP2.97
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-pyridin-2-ylethyl)propane-1,2-diamine
CID 62417470
2-[methyl(2-pyridin-2-ylethyl)amino]pentyl 2-amino-3-methylbutanoate
CID 178172677
ethane;N-methyl-N-(2-pyridin-2-ylethyl)propan-2-amine
CID 142585406
2-N-methyl-2-N-(2-pyridin-2-ylethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 62557484
N-ethyl-N',2-dimethyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine
CID 62418035
2-ethyl-N',2-dimethyl-N-(2-methylpropyl)-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine
CID 62261959
1-N-(3-methoxypropyl)-2-N-methyl-2-N-(2-pyridin-2-ylethyl)propane-1,2-diamine
CID 62557319
N-methyl-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 21307320
2-methyl-N-(pyridin-2-ylmethyl)propan-1-amine;hydrochloride
CID 17332283
3-[methyl(2-pyridin-2-ylethyl)amino]butanethioamide
CID 60915227
1-[methyl(2-pyridin-2-ylethyl)amino]pentan-2-ol
CID 62042147
1-N-(2-methylpropyl)-2-N-(3-pyridin-2-ylpropyl)propane-1,2-diamine
CID 113407588

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-pyridin-2-ylethyl)pentane-1,2-diamine?
The IUPAC name of 2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-pyridin-2-ylethyl)pentane-1,2-diamine (CID 83042410) is 2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-pyridin-2-ylethyl)pentane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-pyridin-2-ylethyl)pentane-1,2-diamine?
The canonical SMILES for 2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-pyridin-2-ylethyl)pentane-1,2-diamine is CCCC(CNCC(C)C)N(C)CCc1ccccn1.
What is the InChIKey of 2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-pyridin-2-ylethyl)pentane-1,2-diamine?
The InChIKey is UXQUMXNWAWVMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-5-8-17(14-18-13-15(2)3)20(4)12-10-16-9-6-7-11-19-16/h6-7,9,11,15,17-18H,5,8,10,12-14H2,1-4H3.
What are the key properties of 2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-pyridin-2-ylethyl)pentane-1,2-diamine?
2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-pyridin-2-ylethyl)pentane-1,2-diamine has a molecular weight of 277.46 g/mol, XLogP of 2.97, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-pyridin-2-ylethyl)pentane-1,2-diamine is sourced from PubChem (CID 83042410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).