N'-ethyl-N'-(4-methyl-2-pyridinyl)-N-propan-2-ylethane-1,2-diamine

C13H23N3 — CID 62587832

IUPACN'-ethyl-N'-(4-methyl-2-pyridinyl)-N-propan-2-ylethane-1,2-diamine
SMILESCCN(CCNC(C)C)c1cc(C)ccn1
InChIInChI=1S/C13H23N3/c1-5-16(9-8-14-11(2)3)13-10-12(4)6-7-15-13/h6-7,10-11,14H,5,8-9H2,1-4H3
InChIKeyNOFGQURIPLIXIQ-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.21
Rot. Bonds6

About N'-ethyl-N'-(4-methyl-2-pyridinyl)-N-propan-2-ylethane-1,2-diamine

N'-ethyl-N'-(4-methyl-2-pyridinyl)-N-propan-2-ylethane-1,2-diamine (PubChem CID 62587832) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N'-ethyl-N'-(4-methyl-2-pyridinyl)-N-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(4-methyl-2-pyridinyl)-N-propan-2-ylethane-1,2-diamine
PubChem CID62587832
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN'-ethyl-N'-(4-methyl-2-pyridinyl)-N-propan-2-ylethane-1,2-diamine
SMILESCCN(CCNC(C)C)c1cc(C)ccn1
InChIInChI=1S/C13H23N3/c1-5-16(9-8-14-11(2)3)13-10-12(4)6-7-15-13/h6-7,10-11,14H,5,8-9H2,1-4H3
InChIKeyNOFGQURIPLIXIQ-UHFFFAOYSA-N
XLogP2.21
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(4-methyl-2-pyridinyl)-N-propan-2-ylethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-(4-methyl-2-pyridinyl)-N-propan-2-ylethane-1,2-diamine (CID 62587832) is N'-ethyl-N'-(4-methyl-2-pyridinyl)-N-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-(4-methyl-2-pyridinyl)-N-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-(4-methyl-2-pyridinyl)-N-propan-2-ylethane-1,2-diamine is CCN(CCNC(C)C)c1cc(C)ccn1.
What is the InChIKey of N'-ethyl-N'-(4-methyl-2-pyridinyl)-N-propan-2-ylethane-1,2-diamine?
The InChIKey is NOFGQURIPLIXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-5-16(9-8-14-11(2)3)13-10-12(4)6-7-15-13/h6-7,10-11,14H,5,8-9H2,1-4H3.
What are the key properties of N'-ethyl-N'-(4-methyl-2-pyridinyl)-N-propan-2-ylethane-1,2-diamine?
N'-ethyl-N'-(4-methyl-2-pyridinyl)-N-propan-2-ylethane-1,2-diamine has a molecular weight of 221.35 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(4-methyl-2-pyridinyl)-N-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 62587832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).