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

C15H27N3 — CID 62417470

IUPAC2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-pyridin-2-ylethyl)propane-1,2-diamine
SMILESCC(C)CNCC(C)N(C)CCc1ccccn1
InChIInChI=1S/C15H27N3/c1-13(2)11-16-12-14(3)18(4)10-8-15-7-5-6-9-17-15/h5-7,9,13-14,16H,8,10-12H2,1-4H3
InChIKeyORIJCOQJIFCNPP-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.19
Rot. Bonds8

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

2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-pyridin-2-ylethyl)propane-1,2-diamine (PubChem CID 62417470) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-pyridin-2-ylethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-pyridin-2-ylethyl)propane-1,2-diamine
PubChem CID62417470
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-pyridin-2-ylethyl)propane-1,2-diamine
SMILESCC(C)CNCC(C)N(C)CCc1ccccn1
InChIInChI=1S/C15H27N3/c1-13(2)11-16-12-14(3)18(4)10-8-15-7-5-6-9-17-15/h5-7,9,13-14,16H,8,10-12H2,1-4H3
InChIKeyORIJCOQJIFCNPP-UHFFFAOYSA-N
XLogP2.19
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.19
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)pentane-1,2-diamine
CID 83042410
2-N-methyl-2-N-(2-pyridin-2-ylethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 62557484
1-N-(3-methoxypropyl)-2-N-methyl-2-N-(2-pyridin-2-ylethyl)propane-1,2-diamine
CID 62557319
ethane;N-methyl-N-(2-pyridin-2-ylethyl)propan-2-amine
CID 142585406
2-ethyl-N',2-dimethyl-N-(2-methylpropyl)-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine
CID 62261959
3-[methyl(2-pyridin-2-ylethyl)amino]butanethioamide
CID 60915227
N-ethyl-N',2-dimethyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine
CID 62418035
2-methyl-N-(pyridin-2-ylmethyl)propan-1-amine;hydrochloride
CID 17332283
3-ethyl-2-N-methyl-2-N-(2-pyridin-2-ylethyl)pentane-1,2-diamine
CID 43187234
1-N-(2-methylpropyl)-2-N-(3-pyridin-2-ylpropyl)propane-1,2-diamine
CID 113407588
3-methyl-2-[methyl(2-pyridin-2-ylethyl)amino]butan-1-ol
CID 115137806
N'-methyl-N-(2-methylpropyl)-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 62433942

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-pyridin-2-ylethyl)propane-1,2-diamine?
The IUPAC name of 2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-pyridin-2-ylethyl)propane-1,2-diamine (CID 62417470) is 2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-pyridin-2-ylethyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-pyridin-2-ylethyl)propane-1,2-diamine?
The canonical SMILES for 2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-pyridin-2-ylethyl)propane-1,2-diamine is CC(C)CNCC(C)N(C)CCc1ccccn1.
What is the InChIKey of 2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-pyridin-2-ylethyl)propane-1,2-diamine?
The InChIKey is ORIJCOQJIFCNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-13(2)11-16-12-14(3)18(4)10-8-15-7-5-6-9-17-15/h5-7,9,13-14,16H,8,10-12H2,1-4H3.
What are the key properties of 2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-pyridin-2-ylethyl)propane-1,2-diamine?
2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-pyridin-2-ylethyl)propane-1,2-diamine has a molecular weight of 249.40 g/mol, XLogP of 2.19, 8 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)propane-1,2-diamine is sourced from PubChem (CID 62417470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).