N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)cycloheptanamine

C17H26N2 — CID 61151262

IUPACN-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)cycloheptanamine
SMILESc1cc2c(cc1CNC1CCCCCC1)CCCN2
InChIInChI=1S/C17H26N2/c1-2-4-8-16(7-3-1)19-13-14-9-10-17-15(12-14)6-5-11-18-17/h9-10,12,16,18-19H,1-8,11,13H2
InChIKeyOWCAVJSKGJJNAQ-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.86
Rot. Bonds3

About N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)cycloheptanamine

N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)cycloheptanamine (PubChem CID 61151262) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)cycloheptanamine.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)cycloheptanamine
PubChem CID61151262
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC NameN-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)cycloheptanamine
SMILESc1cc2c(cc1CNC1CCCCCC1)CCCN2
InChIInChI=1S/C17H26N2/c1-2-4-8-16(7-3-1)19-13-14-9-10-17-15(12-14)6-5-11-18-17/h9-10,12,16,18-19H,1-8,11,13H2
InChIKeyOWCAVJSKGJJNAQ-UHFFFAOYSA-N
XLogP3.86
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]cycloheptanamine
CID 82256808
N-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]cyclopropanamine
CID 82256847
2-methyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)propan-2-amine
CID 61150349
N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)propan-2-amine
CID 61151541
2-propyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)cyclopropan-1-amine
CID 114111276
N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)aniline
CID 61149619
6-cyclohexyloxy-1,2,3,4-tetrahydroquinoline
CID 115075220
6-cyclopropyl-1,2,3,4-tetrahydroquinoline
CID 23004951
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)cyclobutanamine
CID 103998248
2-(cyclohexylamino)-1-(2,3-dihydro-1H-indol-5-yl)ethanone
CID 82257913
6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 28776156
6-(3,3-dimethylbutyl)-1,2,3,4-tetrahydroquinoline
CID 106778864

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)cycloheptanamine?
The IUPAC name of N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)cycloheptanamine (CID 61151262) is N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)cycloheptanamine.
What is the SMILES notation for N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)cycloheptanamine?
The canonical SMILES for N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)cycloheptanamine is c1cc2c(cc1CNC1CCCCCC1)CCCN2.
What is the InChIKey of N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)cycloheptanamine?
The InChIKey is OWCAVJSKGJJNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-2-4-8-16(7-3-1)19-13-14-9-10-17-15(12-14)6-5-11-18-17/h9-10,12,16,18-19H,1-8,11,13H2.
What are the key properties of N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)cycloheptanamine?
N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)cycloheptanamine has a molecular weight of 258.41 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)cycloheptanamine is sourced from PubChem (CID 61151262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).