N',N'-diethyl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]ethane-1,2-diamine

C15H25N3 — CID 97132888

IUPACN',N'-diethyl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]ethane-1,2-diamine
SMILESCCN(CC)CCN[C@@H]1CCCc2cccnc21
InChIInChI=1S/C15H25N3/c1-3-18(4-2)12-11-16-14-9-5-7-13-8-6-10-17-15(13)14/h6,8,10,14,16H,3-5,7,9,11-12H2,1-2H3/t14-/m1/s1
InChIKeyVVOQWADJCDSDAV-CQSZACIVSA-N
MW247.39 g/mol
LogP2.39
Rot. Bonds6

About N',N'-diethyl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]ethane-1,2-diamine

N',N'-diethyl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]ethane-1,2-diamine (PubChem CID 97132888) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N',N'-diethyl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]ethane-1,2-diamine
PubChem CID97132888
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN',N'-diethyl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]ethane-1,2-diamine
SMILESCCN(CC)CCN[C@@H]1CCCc2cccnc21
InChIInChI=1S/C15H25N3/c1-3-18(4-2)12-11-16-14-9-5-7-13-8-6-10-17-15(13)14/h6,8,10,14,16H,3-5,7,9,11-12H2,1-2H3/t14-/m1/s1
InChIKeyVVOQWADJCDSDAV-CQSZACIVSA-N
XLogP2.39
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N',N'-diethyl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]ethane-1,2-diamine with MolForge

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Related Compounds

N-(3-ethoxypropyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79080293
N-prop-2-ynyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079711
5-(5,6,7,8-tetrahydroquinolin-8-ylamino)pentan-1-ol
CID 107316747
N'-(5,6,7,8-tetrahydroquinolin-8-yl)hexane-1,6-diamine
CID 142667915
N-hex-5-ynyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 114158536
N-[[4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 71026047
N-[2-(4-methylpiperidin-1-yl)ethyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079118
N-(2-methylprop-2-enyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 114615760
2-methyl-1-(5,6,7,8-tetrahydroquinolin-8-ylamino)propan-2-ol
CID 79078513
(8S)-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 58985331
N-(cyclopentylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079348
N-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79080172

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]ethane-1,2-diamine?
The IUPAC name of N',N'-diethyl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]ethane-1,2-diamine (CID 97132888) is N',N'-diethyl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-diethyl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]ethane-1,2-diamine?
The canonical SMILES for N',N'-diethyl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]ethane-1,2-diamine is CCN(CC)CCN[C@@H]1CCCc2cccnc21.
What is the InChIKey of N',N'-diethyl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]ethane-1,2-diamine?
The InChIKey is VVOQWADJCDSDAV-CQSZACIVSA-N. The full InChI is InChI=1S/C15H25N3/c1-3-18(4-2)12-11-16-14-9-5-7-13-8-6-10-17-15(13)14/h6,8,10,14,16H,3-5,7,9,11-12H2,1-2H3/t14-/m1/s1.
What are the key properties of N',N'-diethyl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]ethane-1,2-diamine?
N',N'-diethyl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]ethane-1,2-diamine has a molecular weight of 247.39 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]ethane-1,2-diamine is sourced from PubChem (CID 97132888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).