N,2-dimethyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)butan-1-amine

C16H26N2 — CID 106901978

IUPACN,2-dimethyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)butan-1-amine
SMILESCCC(C)CN(C)CC1CNc2ccccc2C1
InChIInChI=1S/C16H26N2/c1-4-13(2)11-18(3)12-14-9-15-7-5-6-8-16(15)17-10-14/h5-8,13-14,17H,4,9-12H2,1-3H3
InChIKeyPSNPXFIYXNLKLN-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.25
Rot. Bonds5

About N,2-dimethyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)butan-1-amine

N,2-dimethyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)butan-1-amine (PubChem CID 106901978) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N,2-dimethyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)butan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)butan-1-amine
PubChem CID106901978
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN,2-dimethyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)butan-1-amine
SMILESCCC(C)CN(C)CC1CNc2ccccc2C1
InChIInChI=1S/C16H26N2/c1-4-13(2)11-18(3)12-14-9-15-7-5-6-8-16(15)17-10-14/h5-8,13-14,17H,4,9-12H2,1-3H3
InChIKeyPSNPXFIYXNLKLN-UHFFFAOYSA-N
XLogP3.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)propan-2-amine
CID 106901949
N,N-dimethyl-N'-(2-methylpropyl)-N'-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)ethane-1,2-diamine
CID 106902107
3,3,3-trifluoro-N-methyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)propan-1-amine
CID 106902239
N-methyl-N-[(2-methylphenyl)methyl]-1-(1,2,3,4-tetrahydroquinolin-3-yl)methanamine
CID 106902024
N-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)pentan-1-amine
CID 106902089
3-(4-methylpentyl)-1,2,3,4-tetrahydroquinoline
CID 106781112
N-butyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)butan-1-amine
CID 106901965
N-[(2-chlorophenyl)methyl]-N-methyl-1-(1,2,3,4-tetrahydroquinolin-3-yl)methanamine
CID 106902030
N-methyl-1-(oxan-2-yl)-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)methanamine
CID 106902048
N-methyl-2-pyrrolidin-1-yl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)ethanamine
CID 106902191
N-methyl-N-[(2-methylfuran-3-yl)methyl]-1-(1,2,3,4-tetrahydroquinolin-3-yl)methanamine
CID 106902040
N,3-dimethyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)cyclohexan-1-amine
CID 106902062

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)butan-1-amine?
The IUPAC name of N,2-dimethyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)butan-1-amine (CID 106901978) is N,2-dimethyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)butan-1-amine.
What is the SMILES notation for N,2-dimethyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)butan-1-amine?
The canonical SMILES for N,2-dimethyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)butan-1-amine is CCC(C)CN(C)CC1CNc2ccccc2C1.
What is the InChIKey of N,2-dimethyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)butan-1-amine?
The InChIKey is PSNPXFIYXNLKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-4-13(2)11-18(3)12-14-9-15-7-5-6-8-16(15)17-10-14/h5-8,13-14,17H,4,9-12H2,1-3H3.
What are the key properties of N,2-dimethyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)butan-1-amine?
N,2-dimethyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)butan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)butan-1-amine is sourced from PubChem (CID 106901978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).