N'-[3-chloro-5-[(cyclopropylamino)methyl]-2-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine

C16H27ClN4 — CID 62294850

IUPACN'-[3-chloro-5-[(cyclopropylamino)methyl]-2-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CCN(C)C)c1ncc(CNC2CC2)cc1Cl
InChIInChI=1S/C16H27ClN4/c1-4-7-21(9-8-20(2)3)16-15(17)10-13(12-19-16)11-18-14-5-6-14/h10,12,14,18H,4-9,11H2,1-3H3
InChIKeyLLJPENPJKQYTIP-UHFFFAOYSA-N
MW310.87 g/mol
LogP2.77
Rot. Bonds9

About N'-[3-chloro-5-[(cyclopropylamino)methyl]-2-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine

N'-[3-chloro-5-[(cyclopropylamino)methyl]-2-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine (PubChem CID 62294850) has the molecular formula C16H27ClN4 and a molecular weight of 310.87 g/mol. Its IUPAC name is N'-[3-chloro-5-[(cyclopropylamino)methyl]-2-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[3-chloro-5-[(cyclopropylamino)methyl]-2-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
PubChem CID62294850
Molecular FormulaC16H27ClN4
Molecular Weight310.87 g/mol
Exact Mass310.19
IUPAC NameN'-[3-chloro-5-[(cyclopropylamino)methyl]-2-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CCN(C)C)c1ncc(CNC2CC2)cc1Cl
InChIInChI=1S/C16H27ClN4/c1-4-7-21(9-8-20(2)3)16-15(17)10-13(12-19-16)11-18-14-5-6-14/h10,12,14,18H,4-9,11H2,1-3H3
InChIKeyLLJPENPJKQYTIP-UHFFFAOYSA-N
XLogP2.77
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[3-chloro-5-[(cyclopropylamino)methyl]-2-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The IUPAC name of N'-[3-chloro-5-[(cyclopropylamino)methyl]-2-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine (CID 62294850) is N'-[3-chloro-5-[(cyclopropylamino)methyl]-2-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine.
What is the SMILES notation for N'-[3-chloro-5-[(cyclopropylamino)methyl]-2-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The canonical SMILES for N'-[3-chloro-5-[(cyclopropylamino)methyl]-2-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine is CCCN(CCN(C)C)c1ncc(CNC2CC2)cc1Cl.
What is the InChIKey of N'-[3-chloro-5-[(cyclopropylamino)methyl]-2-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
The InChIKey is LLJPENPJKQYTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN4/c1-4-7-21(9-8-20(2)3)16-15(17)10-13(12-19-16)11-18-14-5-6-14/h10,12,14,18H,4-9,11H2,1-3H3.
What are the key properties of N'-[3-chloro-5-[(cyclopropylamino)methyl]-2-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine?
N'-[3-chloro-5-[(cyclopropylamino)methyl]-2-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine has a molecular weight of 310.87 g/mol, XLogP of 2.77, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-chloro-5-[(cyclopropylamino)methyl]-2-pyridinyl]-N,N-dimethyl-N'-propylethane-1,2-diamine is sourced from PubChem (CID 62294850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).