N'-[3-chloro-5-(ethylaminomethyl)-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine

C14H25ClN4 — CID 63701057

IUPACN'-[3-chloro-5-(ethylaminomethyl)-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCCNCc1cnc(N(C)CCCN(C)C)c(Cl)c1
InChIInChI=1S/C14H25ClN4/c1-5-16-10-12-9-13(15)14(17-11-12)19(4)8-6-7-18(2)3/h9,11,16H,5-8,10H2,1-4H3
InChIKeyWOXFHNXLYDJYCN-UHFFFAOYSA-N
MW284.84 g/mol
LogP2.23
Rot. Bonds8

About N'-[3-chloro-5-(ethylaminomethyl)-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine

N'-[3-chloro-5-(ethylaminomethyl)-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine (PubChem CID 63701057) has the molecular formula C14H25ClN4 and a molecular weight of 284.84 g/mol. Its IUPAC name is N'-[3-chloro-5-(ethylaminomethyl)-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[3-chloro-5-(ethylaminomethyl)-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine
PubChem CID63701057
Molecular FormulaC14H25ClN4
Molecular Weight284.84 g/mol
Exact Mass284.18
IUPAC NameN'-[3-chloro-5-(ethylaminomethyl)-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCCNCc1cnc(N(C)CCCN(C)C)c(Cl)c1
InChIInChI=1S/C14H25ClN4/c1-5-16-10-12-9-13(15)14(17-11-12)19(4)8-6-7-18(2)3/h9,11,16H,5-8,10H2,1-4H3
InChIKeyWOXFHNXLYDJYCN-UHFFFAOYSA-N
XLogP2.23
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.84
LogP ≤ 52.23
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-(ethylaminomethyl)-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine?
The IUPAC name of N'-[3-chloro-5-(ethylaminomethyl)-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine (CID 63701057) is N'-[3-chloro-5-(ethylaminomethyl)-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[3-chloro-5-(ethylaminomethyl)-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-[3-chloro-5-(ethylaminomethyl)-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine is CCNCc1cnc(N(C)CCCN(C)C)c(Cl)c1.
What is the InChIKey of N'-[3-chloro-5-(ethylaminomethyl)-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine?
The InChIKey is WOXFHNXLYDJYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25ClN4/c1-5-16-10-12-9-13(15)14(17-11-12)19(4)8-6-7-18(2)3/h9,11,16H,5-8,10H2,1-4H3.
What are the key properties of N'-[3-chloro-5-(ethylaminomethyl)-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine?
N'-[3-chloro-5-(ethylaminomethyl)-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine has a molecular weight of 284.84 g/mol, XLogP of 2.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-chloro-5-(ethylaminomethyl)-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 63701057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).