N',N'-dimethyl-N-[6-(2-methylpentan-3-yl)-2-pyridinyl]ethane-1,2-diamine

C15H27N3 — CID 156639588

IUPACN',N'-dimethyl-N-[6-(2-methylpentan-3-yl)-2-pyridinyl]ethane-1,2-diamine
SMILESCCC(c1cccc(NCCN(C)C)n1)C(C)C
InChIInChI=1S/C15H27N3/c1-6-13(12(2)3)14-8-7-9-15(17-14)16-10-11-18(4)5/h7-9,12-13H,6,10-11H2,1-5H3,(H,16,17)
InChIKeyYDOZIPFQPJUWEU-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.20
Rot. Bonds7

About N',N'-dimethyl-N-[6-(2-methylpentan-3-yl)-2-pyridinyl]ethane-1,2-diamine

N',N'-dimethyl-N-[6-(2-methylpentan-3-yl)-2-pyridinyl]ethane-1,2-diamine (PubChem CID 156639588) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N',N'-dimethyl-N-[6-(2-methylpentan-3-yl)-2-pyridinyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[6-(2-methylpentan-3-yl)-2-pyridinyl]ethane-1,2-diamine
PubChem CID156639588
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN',N'-dimethyl-N-[6-(2-methylpentan-3-yl)-2-pyridinyl]ethane-1,2-diamine
SMILESCCC(c1cccc(NCCN(C)C)n1)C(C)C
InChIInChI=1S/C15H27N3/c1-6-13(12(2)3)14-8-7-9-15(17-14)16-10-11-18(4)5/h7-9,12-13H,6,10-11H2,1-5H3,(H,16,17)
InChIKeyYDOZIPFQPJUWEU-UHFFFAOYSA-N
XLogP3.20
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[6-(2-methylpentan-3-yl)-2-pyridinyl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-[6-(2-methylpentan-3-yl)-2-pyridinyl]ethane-1,2-diamine (CID 156639588) is N',N'-dimethyl-N-[6-(2-methylpentan-3-yl)-2-pyridinyl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[6-(2-methylpentan-3-yl)-2-pyridinyl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-[6-(2-methylpentan-3-yl)-2-pyridinyl]ethane-1,2-diamine is CCC(c1cccc(NCCN(C)C)n1)C(C)C.
What is the InChIKey of N',N'-dimethyl-N-[6-(2-methylpentan-3-yl)-2-pyridinyl]ethane-1,2-diamine?
The InChIKey is YDOZIPFQPJUWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-6-13(12(2)3)14-8-7-9-15(17-14)16-10-11-18(4)5/h7-9,12-13H,6,10-11H2,1-5H3,(H,16,17).
What are the key properties of N',N'-dimethyl-N-[6-(2-methylpentan-3-yl)-2-pyridinyl]ethane-1,2-diamine?
N',N'-dimethyl-N-[6-(2-methylpentan-3-yl)-2-pyridinyl]ethane-1,2-diamine has a molecular weight of 249.40 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[6-(2-methylpentan-3-yl)-2-pyridinyl]ethane-1,2-diamine is sourced from PubChem (CID 156639588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).