N'-[4-(chloromethyl)-6-ethyl-2-pyridinyl]-N,N,N'-triethylpropane-1,3-diamine

C17H30ClN3 — CID 102996063

IUPACN'-[4-(chloromethyl)-6-ethyl-2-pyridinyl]-N,N,N'-triethylpropane-1,3-diamine
SMILESCCc1cc(CCl)cc(N(CC)CCCN(CC)CC)n1
InChIInChI=1S/C17H30ClN3/c1-5-16-12-15(14-18)13-17(19-16)21(8-4)11-9-10-20(6-2)7-3/h12-13H,5-11,14H2,1-4H3
InChIKeyJNZMZROAMJTBSH-UHFFFAOYSA-N
MW311.90 g/mol
LogP3.94
Rot. Bonds10

About N'-[4-(chloromethyl)-6-ethyl-2-pyridinyl]-N,N,N'-triethylpropane-1,3-diamine

N'-[4-(chloromethyl)-6-ethyl-2-pyridinyl]-N,N,N'-triethylpropane-1,3-diamine (PubChem CID 102996063) has the molecular formula C17H30ClN3 and a molecular weight of 311.90 g/mol. Its IUPAC name is N'-[4-(chloromethyl)-6-ethyl-2-pyridinyl]-N,N,N'-triethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[4-(chloromethyl)-6-ethyl-2-pyridinyl]-N,N,N'-triethylpropane-1,3-diamine
PubChem CID102996063
Molecular FormulaC17H30ClN3
Molecular Weight311.90 g/mol
Exact Mass311.21
IUPAC NameN'-[4-(chloromethyl)-6-ethyl-2-pyridinyl]-N,N,N'-triethylpropane-1,3-diamine
SMILESCCc1cc(CCl)cc(N(CC)CCCN(CC)CC)n1
InChIInChI=1S/C17H30ClN3/c1-5-16-12-15(14-18)13-17(19-16)21(8-4)11-9-10-20(6-2)7-3/h12-13H,5-11,14H2,1-4H3
InChIKeyJNZMZROAMJTBSH-UHFFFAOYSA-N
XLogP3.94
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.90
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N'-[4-(chloromethyl)-6-ethyl-2-pyridinyl]-N,N,N'-triethylpropane-1,3-diamine with MolForge

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Related Compounds

4-(aminomethyl)-N-butyl-N,6-diethylpyridin-2-amine
CID 113381293
[2-[3-(diethylamino)propyl-ethylamino]-6-methyl-4-pyridinyl]methanol
CID 102996011
[2-[3-(diethylamino)propyl-ethylamino]-4-pyridinyl]methanol
CID 102996028
4-(chloromethyl)-N-ethyl-N-(2-methoxyethyl)-6-propylpyridin-2-amine
CID 113380691
4-N-[3-(diethylamino)propyl]-4-N-ethylpyrimidine-2,4,6-triamine
CID 102998945
4-(chloromethyl)-N-cyclopentyl-N,6-diethylpyridin-2-amine
CID 113380658
N-butyl-5-(chloromethyl)-N-ethylpyridin-2-amine
CID 61256376
N,N,6-triethyl-4-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 113381270
N,N,N'-triethyl-N'-[5-(methylaminomethyl)-2-pyridinyl]propane-1,3-diamine
CID 102995293
4-N-[3-(diethylamino)propyl]-4-N,6-N-diethyl-2-methylpyrimidine-4,6-diamine
CID 102998975
1-[2-[3-(diethylamino)propyl-ethylamino]-4-pyridinyl]ethanol
CID 102994915
4-(chloromethyl)-N-methyl-N-pentyl-6-propylpyridin-2-amine
CID 113380652

Frequently Asked Questions

What is the IUPAC name of N'-[4-(chloromethyl)-6-ethyl-2-pyridinyl]-N,N,N'-triethylpropane-1,3-diamine?
The IUPAC name of N'-[4-(chloromethyl)-6-ethyl-2-pyridinyl]-N,N,N'-triethylpropane-1,3-diamine (CID 102996063) is N'-[4-(chloromethyl)-6-ethyl-2-pyridinyl]-N,N,N'-triethylpropane-1,3-diamine.
What is the SMILES notation for N'-[4-(chloromethyl)-6-ethyl-2-pyridinyl]-N,N,N'-triethylpropane-1,3-diamine?
The canonical SMILES for N'-[4-(chloromethyl)-6-ethyl-2-pyridinyl]-N,N,N'-triethylpropane-1,3-diamine is CCc1cc(CCl)cc(N(CC)CCCN(CC)CC)n1.
What is the InChIKey of N'-[4-(chloromethyl)-6-ethyl-2-pyridinyl]-N,N,N'-triethylpropane-1,3-diamine?
The InChIKey is JNZMZROAMJTBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30ClN3/c1-5-16-12-15(14-18)13-17(19-16)21(8-4)11-9-10-20(6-2)7-3/h12-13H,5-11,14H2,1-4H3.
What are the key properties of N'-[4-(chloromethyl)-6-ethyl-2-pyridinyl]-N,N,N'-triethylpropane-1,3-diamine?
N'-[4-(chloromethyl)-6-ethyl-2-pyridinyl]-N,N,N'-triethylpropane-1,3-diamine has a molecular weight of 311.90 g/mol, XLogP of 3.94, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(chloromethyl)-6-ethyl-2-pyridinyl]-N,N,N'-triethylpropane-1,3-diamine is sourced from PubChem (CID 102996063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).