N',N'-dimethyl-N-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]propane-1,3-diamine

C16H27N3 — CID 82256820

IUPACN',N'-dimethyl-N-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]propane-1,3-diamine
SMILESCN(C)CCCNCCc1ccc2c(c1)CCCN2
InChIInChI=1S/C16H27N3/c1-19(2)12-4-9-17-11-8-14-6-7-16-15(13-14)5-3-10-18-16/h6-7,13,17-18H,3-5,8-12H2,1-2H3
InChIKeyHFHGNWMWQFUSEU-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.13
Rot. Bonds7

About N',N'-dimethyl-N-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]propane-1,3-diamine

N',N'-dimethyl-N-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]propane-1,3-diamine (PubChem CID 82256820) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N',N'-dimethyl-N-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]propane-1,3-diamine
PubChem CID82256820
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN',N'-dimethyl-N-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]propane-1,3-diamine
SMILESCN(C)CCCNCCc1ccc2c(c1)CCCN2
InChIInChI=1S/C16H27N3/c1-19(2)12-4-9-17-11-8-14-6-7-16-15(13-14)5-3-10-18-16/h6-7,13,17-18H,3-5,8-12H2,1-2H3
InChIKeyHFHGNWMWQFUSEU-UHFFFAOYSA-N
XLogP2.13
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2,3-dihydro-1H-indol-5-yl)ethylamino]propan-1-ol
CID 82256860
4-[2-(2,3-dihydro-1H-indol-5-yl)ethylamino]butanoic acid
CID 82256904
N-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]cyclopropanamine
CID 82256847
6-[2-(4-methylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline
CID 63968254
4-(1,2,3,4-tetrahydroquinolin-6-yl)butanal
CID 164919422
N,N,N'-trimethyl-N'-(1,2,3,4-tetrahydroquinolin-6-yl)ethane-1,2-diamine
CID 81214955
N-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]cycloheptanamine
CID 82256808
6-(3,3-dimethylbutyl)-1,2,3,4-tetrahydroquinoline
CID 106778864
N',N'-dimethyl-N-[2-(2-methyl-2,3-dihydro-1H-indol-5-yl)ethyl]ethane-1,2-diamine
CID 82256995
3-(2,3-dihydro-1H-indol-5-yl)-N-methylpropan-1-amine
CID 115105456
N-prop-2-enyl-N-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]prop-2-en-1-amine
CID 82255731
6-(2-cyclohexylethyl)-1,2,3,4-tetrahydroquinoline
CID 114192887

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]propane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-N-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]propane-1,3-diamine (CID 82256820) is N',N'-dimethyl-N-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]propane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-N-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]propane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-N-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]propane-1,3-diamine is CN(C)CCCNCCc1ccc2c(c1)CCCN2.
What is the InChIKey of N',N'-dimethyl-N-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]propane-1,3-diamine?
The InChIKey is HFHGNWMWQFUSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-19(2)12-4-9-17-11-8-14-6-7-16-15(13-14)5-3-10-18-16/h6-7,13,17-18H,3-5,8-12H2,1-2H3.
What are the key properties of N',N'-dimethyl-N-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]propane-1,3-diamine?
N',N'-dimethyl-N-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]propane-1,3-diamine has a molecular weight of 261.41 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]propane-1,3-diamine is sourced from PubChem (CID 82256820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).