N',N'-di(propan-2-yl)-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine

C15H27N3 — CID 60648012

IUPACN',N'-di(propan-2-yl)-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine
SMILESCC(C)N(CCNCCc1ccccn1)C(C)C
InChIInChI=1S/C15H27N3/c1-13(2)18(14(3)4)12-11-16-10-8-15-7-5-6-9-17-15/h5-7,9,13-14,16H,8,10-12H2,1-4H3
InChIKeyMOMPTYQHBHHTKJ-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.33
Rot. Bonds8

About N',N'-di(propan-2-yl)-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine

N',N'-di(propan-2-yl)-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine (PubChem CID 60648012) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N',N'-di(propan-2-yl)-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-di(propan-2-yl)-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine
PubChem CID60648012
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN',N'-di(propan-2-yl)-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine
SMILESCC(C)N(CCNCCc1ccccn1)C(C)C
InChIInChI=1S/C15H27N3/c1-13(2)18(14(3)4)12-11-16-10-8-15-7-5-6-9-17-15/h5-7,9,13-14,16H,8,10-12H2,1-4H3
InChIKeyMOMPTYQHBHHTKJ-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
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

2-[2-[di(propan-2-yl)amino]ethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111026298
1-N-(2-pyridin-2-ylethyl)propane-1,2-diamine
CID 115196859
N-methyl-N-propan-2-yl-2-(2-pyridin-2-ylethylamino)acetamide
CID 28579267
2-methyl-3-(2-pyridin-2-ylethylamino)propan-1-ol
CID 65036147
2-pyridin-2-yl-N-[2-[2-(2-pyridin-2-ylethylamino)ethyldisulfanyl]ethyl]ethanamine
CID 101109360
3-methyl-1-N-(2-pyridin-2-ylethyl)butane-1,3-diamine
CID 115200835
ethane;N-methyl-N-(2-pyridin-2-ylethyl)propan-2-amine
CID 142585406
N'-[2-(2-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine;tetrahydrochloride
CID 11530463
N-methyl-2-pyridin-2-ylethanamine dichloride
CID 45114105
N-(2-tert-butylsulfonylethyl)-2-pyridin-2-ylethanamine
CID 113245480
1-N,1-N-dimethyl-2-N-(2-pyridin-2-ylethyl)propane-1,2-diamine
CID 82938712
2-chloro-N-(2-pyridin-2-ylethyl)propanamide
CID 24692533

Frequently Asked Questions

What is the IUPAC name of N',N'-di(propan-2-yl)-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine?
The IUPAC name of N',N'-di(propan-2-yl)-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine (CID 60648012) is N',N'-di(propan-2-yl)-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-di(propan-2-yl)-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine?
The canonical SMILES for N',N'-di(propan-2-yl)-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine is CC(C)N(CCNCCc1ccccn1)C(C)C.
What is the InChIKey of N',N'-di(propan-2-yl)-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine?
The InChIKey is MOMPTYQHBHHTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-13(2)18(14(3)4)12-11-16-10-8-15-7-5-6-9-17-15/h5-7,9,13-14,16H,8,10-12H2,1-4H3.
What are the key properties of N',N'-di(propan-2-yl)-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine?
N',N'-di(propan-2-yl)-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine has a molecular weight of 249.40 g/mol, XLogP of 2.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-di(propan-2-yl)-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine is sourced from PubChem (CID 60648012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).