N,N-dimethyl-N'-propyl-N'-pyridin-2-ylethane-1,2-diamine

C12H21N3 — CID 71575785

IUPACN,N-dimethyl-N'-propyl-N'-pyridin-2-ylethane-1,2-diamine
SMILESCCCN(CCN(C)C)c1ccccn1
InChIInChI=1S/C12H21N3/c1-4-9-15(11-10-14(2)3)12-7-5-6-8-13-12/h5-8H,4,9-11H2,1-3H3
InChIKeyRFBBAIPIHLYHLB-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.86
Rot. Bonds6

About N,N-dimethyl-N'-propyl-N'-pyridin-2-ylethane-1,2-diamine

N,N-dimethyl-N'-propyl-N'-pyridin-2-ylethane-1,2-diamine (PubChem CID 71575785) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N,N-dimethyl-N'-propyl-N'-pyridin-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-N'-propyl-N'-pyridin-2-ylethane-1,2-diamine
PubChem CID71575785
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN,N-dimethyl-N'-propyl-N'-pyridin-2-ylethane-1,2-diamine
SMILESCCCN(CCN(C)C)c1ccccn1
InChIInChI=1S/C12H21N3/c1-4-9-15(11-10-14(2)3)12-7-5-6-8-13-12/h5-8H,4,9-11H2,1-3H3
InChIKeyRFBBAIPIHLYHLB-UHFFFAOYSA-N
XLogP1.86
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-propyl-N'-pyridin-2-ylethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-N'-propyl-N'-pyridin-2-ylethane-1,2-diamine (CID 71575785) is N,N-dimethyl-N'-propyl-N'-pyridin-2-ylethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-N'-propyl-N'-pyridin-2-ylethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-N'-propyl-N'-pyridin-2-ylethane-1,2-diamine is CCCN(CCN(C)C)c1ccccn1.
What is the InChIKey of N,N-dimethyl-N'-propyl-N'-pyridin-2-ylethane-1,2-diamine?
The InChIKey is RFBBAIPIHLYHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-4-9-15(11-10-14(2)3)12-7-5-6-8-13-12/h5-8H,4,9-11H2,1-3H3.
What are the key properties of N,N-dimethyl-N'-propyl-N'-pyridin-2-ylethane-1,2-diamine?
N,N-dimethyl-N'-propyl-N'-pyridin-2-ylethane-1,2-diamine has a molecular weight of 207.32 g/mol, XLogP of 1.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-propyl-N'-pyridin-2-ylethane-1,2-diamine is sourced from PubChem (CID 71575785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).