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

C17H32N4 — CID 102992123

IUPACN'-[2-amino-1-(6-methyl-3-pyridinyl)ethyl]-N,N,N'-triethylpropane-1,3-diamine
SMILESCCN(CC)CCCN(CC)C(CN)c1ccc(C)nc1
InChIInChI=1S/C17H32N4/c1-5-20(6-2)11-8-12-21(7-3)17(13-18)16-10-9-15(4)19-14-16/h9-10,14,17H,5-8,11-13,18H2,1-4H3
InChIKeyWKSXDPGNPFQYFR-UHFFFAOYSA-N
MW292.47 g/mol
LogP2.44
Rot. Bonds10

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

N'-[2-amino-1-(6-methyl-3-pyridinyl)ethyl]-N,N,N'-triethylpropane-1,3-diamine (PubChem CID 102992123) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is N'-[2-amino-1-(6-methyl-3-pyridinyl)ethyl]-N,N,N'-triethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-amino-1-(6-methyl-3-pyridinyl)ethyl]-N,N,N'-triethylpropane-1,3-diamine
PubChem CID102992123
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC NameN'-[2-amino-1-(6-methyl-3-pyridinyl)ethyl]-N,N,N'-triethylpropane-1,3-diamine
SMILESCCN(CC)CCCN(CC)C(CN)c1ccc(C)nc1
InChIInChI=1S/C17H32N4/c1-5-20(6-2)11-8-12-21(7-3)17(13-18)16-10-9-15(4)19-14-16/h9-10,14,17H,5-8,11-13,18H2,1-4H3
InChIKeyWKSXDPGNPFQYFR-UHFFFAOYSA-N
XLogP2.44
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(diethylamino)ethyl]-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine
CID 113457103
N-methyl-N-(3-methylbutyl)-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine
CID 104822189
N'-[2-amino-1-(5-ethylfuran-2-yl)ethyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102992080
N,N-dibutyl-1-pyridin-3-ylethane-1,2-diamine
CID 43125913
N'-[2-amino-1-(4-bromophenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991504
N-ethyl-1-(4-methylphenyl)-N-propylethane-1,2-diamine
CID 43268554
N-butyl-1-[4-(difluoromethyl)phenyl]-N-ethylethane-1,2-diamine
CID 115524220
(1S)-N,N-dimethyl-1-(6-methyl-3-pyridinyl)butan-1-amine;ethane
CID 143571463
N-butyl-1-(4-tert-butylphenyl)-N-ethylethane-1,2-diamine
CID 43079217
N-(4-fluorophenyl)-N-methyl-1-(6-methyl-3-pyridinyl)ethane-1,2-diamine
CID 104822245
2-(6-methyl-3-pyridinyl)propan-1-amine
CID 81021181
N-methyl-1-(6-methyl-3-pyridinyl)-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 104822149

Frequently Asked Questions

What is the IUPAC name of N'-[2-amino-1-(6-methyl-3-pyridinyl)ethyl]-N,N,N'-triethylpropane-1,3-diamine?
The IUPAC name of N'-[2-amino-1-(6-methyl-3-pyridinyl)ethyl]-N,N,N'-triethylpropane-1,3-diamine (CID 102992123) is N'-[2-amino-1-(6-methyl-3-pyridinyl)ethyl]-N,N,N'-triethylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-amino-1-(6-methyl-3-pyridinyl)ethyl]-N,N,N'-triethylpropane-1,3-diamine?
The canonical SMILES for N'-[2-amino-1-(6-methyl-3-pyridinyl)ethyl]-N,N,N'-triethylpropane-1,3-diamine is CCN(CC)CCCN(CC)C(CN)c1ccc(C)nc1.
What is the InChIKey of N'-[2-amino-1-(6-methyl-3-pyridinyl)ethyl]-N,N,N'-triethylpropane-1,3-diamine?
The InChIKey is WKSXDPGNPFQYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-5-20(6-2)11-8-12-21(7-3)17(13-18)16-10-9-15(4)19-14-16/h9-10,14,17H,5-8,11-13,18H2,1-4H3.
What are the key properties of N'-[2-amino-1-(6-methyl-3-pyridinyl)ethyl]-N,N,N'-triethylpropane-1,3-diamine?
N'-[2-amino-1-(6-methyl-3-pyridinyl)ethyl]-N,N,N'-triethylpropane-1,3-diamine has a molecular weight of 292.47 g/mol, XLogP of 2.44, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-amino-1-(6-methyl-3-pyridinyl)ethyl]-N,N,N'-triethylpropane-1,3-diamine is sourced from PubChem (CID 102992123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).