N,N-dimethyl-N'-(2-methylpropyl)-N'-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)ethane-1,2-diamine

C18H31N3 — CID 106902107

IUPACN,N-dimethyl-N'-(2-methylpropyl)-N'-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)ethane-1,2-diamine
SMILESCC(C)CN(CCN(C)C)CC1CNc2ccccc2C1
InChIInChI=1S/C18H31N3/c1-15(2)13-21(10-9-20(3)4)14-16-11-17-7-5-6-8-18(17)19-12-16/h5-8,15-16,19H,9-14H2,1-4H3
InChIKeyQYRFCBFIKVRXTI-UHFFFAOYSA-N
MW289.47 g/mol
LogP2.79
Rot. Bonds7

About N,N-dimethyl-N'-(2-methylpropyl)-N'-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)ethane-1,2-diamine

N,N-dimethyl-N'-(2-methylpropyl)-N'-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)ethane-1,2-diamine (PubChem CID 106902107) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is N,N-dimethyl-N'-(2-methylpropyl)-N'-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-N'-(2-methylpropyl)-N'-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)ethane-1,2-diamine
PubChem CID106902107
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC NameN,N-dimethyl-N'-(2-methylpropyl)-N'-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)ethane-1,2-diamine
SMILESCC(C)CN(CCN(C)C)CC1CNc2ccccc2C1
InChIInChI=1S/C18H31N3/c1-15(2)13-21(10-9-20(3)4)14-16-11-17-7-5-6-8-18(17)19-12-16/h5-8,15-16,19H,9-14H2,1-4H3
InChIKeyQYRFCBFIKVRXTI-UHFFFAOYSA-N
XLogP2.79
TPSA18.51 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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,N-dimethyl-N'-(2-methylpropyl)-N'-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)ethane-1,2-diamine with MolForge

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Related Compounds

N-methyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)propan-2-amine
CID 106901949
N,2-dimethyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)butan-1-amine
CID 106901978
N-butyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)butan-1-amine
CID 106901965
3-(4-methylpentyl)-1,2,3,4-tetrahydroquinoline
CID 106781112
N,N-dimethyl-N'-(2-methylpropyl)-N'-(2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl)ethane-1,2-diamine
CID 103314051
N,N,N'-trimethyl-N'-(1,2,3,4-tetrahydroquinolin-3-yl)ethane-1,2-diamine
CID 63694889
3,3,3-trifluoro-N-methyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)propan-1-amine
CID 106902239
N-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)pentan-1-amine
CID 106902089
N-methyl-2-pyrrolidin-1-yl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)ethanamine
CID 106902191
N-(cyclopropylmethyl)-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)prop-2-yn-1-amine
CID 106902297
N-methyl-N-[(2-methylphenyl)methyl]-1-(1,2,3,4-tetrahydroquinolin-3-yl)methanamine
CID 106902024
N-[(2-chlorophenyl)methyl]-N-methyl-1-(1,2,3,4-tetrahydroquinolin-3-yl)methanamine
CID 106902030

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-(2-methylpropyl)-N'-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-N'-(2-methylpropyl)-N'-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)ethane-1,2-diamine (CID 106902107) is N,N-dimethyl-N'-(2-methylpropyl)-N'-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-N'-(2-methylpropyl)-N'-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-N'-(2-methylpropyl)-N'-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)ethane-1,2-diamine is CC(C)CN(CCN(C)C)CC1CNc2ccccc2C1.
What is the InChIKey of N,N-dimethyl-N'-(2-methylpropyl)-N'-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)ethane-1,2-diamine?
The InChIKey is QYRFCBFIKVRXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-15(2)13-21(10-9-20(3)4)14-16-11-17-7-5-6-8-18(17)19-12-16/h5-8,15-16,19H,9-14H2,1-4H3.
What are the key properties of N,N-dimethyl-N'-(2-methylpropyl)-N'-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)ethane-1,2-diamine?
N,N-dimethyl-N'-(2-methylpropyl)-N'-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)ethane-1,2-diamine has a molecular weight of 289.47 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-(2-methylpropyl)-N'-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 106902107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).