N-methyl-N-[1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-yl]butan-1-amine

C17H28N2 — CID 82255932

IUPACN-methyl-N-[1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-yl]butan-1-amine
SMILESCCCCN(C)C(C)Cc1ccc2c(c1)CCCN2
InChIInChI=1S/C17H28N2/c1-4-5-11-19(3)14(2)12-15-8-9-17-16(13-15)7-6-10-18-17/h8-9,13-14,18H,4-7,10-12H2,1-3H3
InChIKeyMFRSSUPGPOSZGW-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.71
Rot. Bonds6

About N-methyl-N-[1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-yl]butan-1-amine

N-methyl-N-[1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-yl]butan-1-amine (PubChem CID 82255932) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-methyl-N-[1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-yl]butan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-yl]butan-1-amine
PubChem CID82255932
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-methyl-N-[1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-yl]butan-1-amine
SMILESCCCCN(C)C(C)Cc1ccc2c(c1)CCCN2
InChIInChI=1S/C17H28N2/c1-4-5-11-19(3)14(2)12-15-8-9-17-16(13-15)7-6-10-18-17/h8-9,13-14,18H,4-7,10-12H2,1-3H3
InChIKeyMFRSSUPGPOSZGW-UHFFFAOYSA-N
XLogP3.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)propan-1-amine
CID 43269701
N-methyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)-1-thiophen-2-ylpropan-2-amine
CID 79491740
1-(2,3,4,5-tetrahydro-1H-1-benzazepin-7-yl)propan-2-ol
CID 105457907
3-methyl-2-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)butan-1-ol
CID 116997978
N-propan-2-yl-N-propyl-1,2,3,4-tetrahydroquinolin-6-amine
CID 81215496
N-methyl-2-propan-2-yloxy-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)ethanamine
CID 81056760
2-[butyl(ethyl)amino]-1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-1-one
CID 82256335
N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)propan-2-amine
CID 61151541
6-[(4-propylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 28776065
2-(dibutylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
CID 82256325
N',N'-dimethyl-N-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]propane-1,3-diamine
CID 82256820
N-ethyl-N-propyl-1,2,3,4-tetrahydroquinolin-6-amine
CID 81215271

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-yl]butan-1-amine?
The IUPAC name of N-methyl-N-[1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-yl]butan-1-amine (CID 82255932) is N-methyl-N-[1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-yl]butan-1-amine.
What is the SMILES notation for N-methyl-N-[1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-yl]butan-1-amine?
The canonical SMILES for N-methyl-N-[1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-yl]butan-1-amine is CCCCN(C)C(C)Cc1ccc2c(c1)CCCN2.
What is the InChIKey of N-methyl-N-[1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-yl]butan-1-amine?
The InChIKey is MFRSSUPGPOSZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-5-11-19(3)14(2)12-15-8-9-17-16(13-15)7-6-10-18-17/h8-9,13-14,18H,4-7,10-12H2,1-3H3.
What are the key properties of N-methyl-N-[1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-yl]butan-1-amine?
N-methyl-N-[1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-yl]butan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(1,2,3,4-tetrahydroquinolin-6-yl)propan-2-yl]butan-1-amine is sourced from PubChem (CID 82255932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).