N'-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine

C15H27ClN4 — CID 62890809

IUPACN'-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CCN(C)C)Cc1nc(NCC)ccc1Cl
InChIInChI=1S/C15H27ClN4/c1-5-9-20(11-10-19(3)4)12-14-13(16)7-8-15(18-14)17-6-2/h7-8H,5-6,9-12H2,1-4H3,(H,17,18)
InChIKeyIGBDZAMLBFAKAN-UHFFFAOYSA-N
MW298.86 g/mol
LogP2.94
Rot. Bonds9

About N'-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine

N'-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine (PubChem CID 62890809) has the molecular formula C15H27ClN4 and a molecular weight of 298.86 g/mol. Its IUPAC name is N'-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
PubChem CID62890809
Molecular FormulaC15H27ClN4
Molecular Weight298.86 g/mol
Exact Mass298.19
IUPAC NameN'-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CCN(C)C)Cc1nc(NCC)ccc1Cl
InChIInChI=1S/C15H27ClN4/c1-5-9-20(11-10-19(3)4)12-14-13(16)7-8-15(18-14)17-6-2/h7-8H,5-6,9-12H2,1-4H3,(H,17,18)
InChIKeyIGBDZAMLBFAKAN-UHFFFAOYSA-N
XLogP2.94
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The IUPAC name of N'-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine (CID 62890809) is N'-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine.
What is the SMILES notation for N'-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The canonical SMILES for N'-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine is CCCN(CCN(C)C)Cc1nc(NCC)ccc1Cl.
What is the InChIKey of N'-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The InChIKey is IGBDZAMLBFAKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27ClN4/c1-5-9-20(11-10-19(3)4)12-14-13(16)7-8-15(18-14)17-6-2/h7-8H,5-6,9-12H2,1-4H3,(H,17,18).
What are the key properties of N'-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
N'-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine has a molecular weight of 298.86 g/mol, XLogP of 2.94, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[3-chloro-6-(ethylamino)-2-pyridinyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine is sourced from PubChem (CID 62890809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).