1-cyclopropyl-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine;hydrochloride

C13H22ClN3 — CID 115584771

IUPAC1-cyclopropyl-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine;hydrochloride
SMILESCN(C)C(CNCc1ccccn1)C1CC1.Cl
InChIInChI=1S/C13H21N3.ClH/c1-16(2)13(11-6-7-11)10-14-9-12-5-3-4-8-15-12;/h3-5,8,11,13-14H,6-7,9-10H2,1-2H3;1H
InChIKeyPJQYVJCETBXJEK-UHFFFAOYSA-N
MW255.79 g/mol
LogP1.93
Rot. Bonds6

About 1-cyclopropyl-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine;hydrochloride

1-cyclopropyl-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine;hydrochloride (PubChem CID 115584771) has the molecular formula C13H22ClN3 and a molecular weight of 255.79 g/mol. Its IUPAC name is 1-cyclopropyl-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound Name1-cyclopropyl-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine;hydrochloride
PubChem CID115584771
Molecular FormulaC13H22ClN3
Molecular Weight255.79 g/mol
Exact Mass255.15
IUPAC Name1-cyclopropyl-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine;hydrochloride
SMILESCN(C)C(CNCc1ccccn1)C1CC1.Cl
InChIInChI=1S/C13H21N3.ClH/c1-16(2)13(11-6-7-11)10-14-9-12-5-3-4-8-15-12;/h3-5,8,11,13-14H,6-7,9-10H2,1-2H3;1H
InChIKeyPJQYVJCETBXJEK-UHFFFAOYSA-N
XLogP1.93
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl N-[1-cyclopropyl-2-(pyridin-2-ylmethylamino)ethyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine;hydrochloride?
The IUPAC name of 1-cyclopropyl-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine;hydrochloride (CID 115584771) is 1-cyclopropyl-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine;hydrochloride.
What is the SMILES notation for 1-cyclopropyl-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine;hydrochloride?
The canonical SMILES for 1-cyclopropyl-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine;hydrochloride is CN(C)C(CNCc1ccccn1)C1CC1.Cl.
What is the InChIKey of 1-cyclopropyl-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine;hydrochloride?
The InChIKey is PJQYVJCETBXJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3.ClH/c1-16(2)13(11-6-7-11)10-14-9-12-5-3-4-8-15-12;/h3-5,8,11,13-14H,6-7,9-10H2,1-2H3;1H.
What are the key properties of 1-cyclopropyl-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine;hydrochloride?
1-cyclopropyl-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine;hydrochloride has a molecular weight of 255.79 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 115584771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).