3-ethyl-2-N,2-N-dimethyl-1-N-(5,6,7,8-tetrahydroquinolin-8-yl)pentane-1,2-diamine

C18H31N3 — CID 79079669

IUPAC3-ethyl-2-N,2-N-dimethyl-1-N-(5,6,7,8-tetrahydroquinolin-8-yl)pentane-1,2-diamine
SMILESCCC(CC)C(CNC1CCCc2cccnc21)N(C)C
InChIInChI=1S/C18H31N3/c1-5-14(6-2)17(21(3)4)13-20-16-11-7-9-15-10-8-12-19-18(15)16/h8,10,12,14,16-17,20H,5-7,9,11,13H2,1-4H3
InChIKeyVNVOLSDLGZSSER-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.41
Rot. Bonds7

About 3-ethyl-2-N,2-N-dimethyl-1-N-(5,6,7,8-tetrahydroquinolin-8-yl)pentane-1,2-diamine

3-ethyl-2-N,2-N-dimethyl-1-N-(5,6,7,8-tetrahydroquinolin-8-yl)pentane-1,2-diamine (PubChem CID 79079669) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 3-ethyl-2-N,2-N-dimethyl-1-N-(5,6,7,8-tetrahydroquinolin-8-yl)pentane-1,2-diamine.

Molecular Properties

Compound Name3-ethyl-2-N,2-N-dimethyl-1-N-(5,6,7,8-tetrahydroquinolin-8-yl)pentane-1,2-diamine
PubChem CID79079669
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name3-ethyl-2-N,2-N-dimethyl-1-N-(5,6,7,8-tetrahydroquinolin-8-yl)pentane-1,2-diamine
SMILESCCC(CC)C(CNC1CCCc2cccnc21)N(C)C
InChIInChI=1S/C18H31N3/c1-5-14(6-2)17(21(3)4)13-20-16-11-7-9-15-10-8-12-19-18(15)16/h8,10,12,14,16-17,20H,5-7,9,11,13H2,1-4H3
InChIKeyVNVOLSDLGZSSER-UHFFFAOYSA-N
XLogP3.41
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-2-N,2-N-dimethyl-1-N-(5,6,7,8-tetrahydroquinolin-8-yl)pentane-1,2-diamine with MolForge

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Related Compounds

3-ethyl-2-N,2-N-dimethyl-1-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentane-1,2-diamine
CID 43101560
N-(2,2-dimethoxyethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79080071
N-(2-methoxypropyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 102695976
3-methyl-4-(5,6,7,8-tetrahydroquinolin-8-ylamino)butan-1-ol
CID 79080089
1-cyclopropyl-2-(5,6,7,8-tetrahydroquinolin-8-ylamino)ethanol
CID 79079971
(8S)-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 58985331
N-prop-2-ynyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079711
N-(cyclopentylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079348
N',N'-diethyl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]ethane-1,2-diamine
CID 97132888
N-(3-ethoxypropyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79080293
N-(1-cyclopropylbutan-2-yl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79078646
N-[[4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 71026047

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-N,2-N-dimethyl-1-N-(5,6,7,8-tetrahydroquinolin-8-yl)pentane-1,2-diamine?
The IUPAC name of 3-ethyl-2-N,2-N-dimethyl-1-N-(5,6,7,8-tetrahydroquinolin-8-yl)pentane-1,2-diamine (CID 79079669) is 3-ethyl-2-N,2-N-dimethyl-1-N-(5,6,7,8-tetrahydroquinolin-8-yl)pentane-1,2-diamine.
What is the SMILES notation for 3-ethyl-2-N,2-N-dimethyl-1-N-(5,6,7,8-tetrahydroquinolin-8-yl)pentane-1,2-diamine?
The canonical SMILES for 3-ethyl-2-N,2-N-dimethyl-1-N-(5,6,7,8-tetrahydroquinolin-8-yl)pentane-1,2-diamine is CCC(CC)C(CNC1CCCc2cccnc21)N(C)C.
What is the InChIKey of 3-ethyl-2-N,2-N-dimethyl-1-N-(5,6,7,8-tetrahydroquinolin-8-yl)pentane-1,2-diamine?
The InChIKey is VNVOLSDLGZSSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-5-14(6-2)17(21(3)4)13-20-16-11-7-9-15-10-8-12-19-18(15)16/h8,10,12,14,16-17,20H,5-7,9,11,13H2,1-4H3.
What are the key properties of 3-ethyl-2-N,2-N-dimethyl-1-N-(5,6,7,8-tetrahydroquinolin-8-yl)pentane-1,2-diamine?
3-ethyl-2-N,2-N-dimethyl-1-N-(5,6,7,8-tetrahydroquinolin-8-yl)pentane-1,2-diamine has a molecular weight of 289.47 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-N,2-N-dimethyl-1-N-(5,6,7,8-tetrahydroquinolin-8-yl)pentane-1,2-diamine is sourced from PubChem (CID 79079669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).