N-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]cycloheptanamine

C18H28N2 — CID 82256808

IUPACN-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]cycloheptanamine
SMILESc1cc2c(cc1CCNC1CCCCCC1)CCCN2
InChIInChI=1S/C18H28N2/c1-2-4-8-17(7-3-1)19-13-11-15-9-10-18-16(14-15)6-5-12-20-18/h9-10,14,17,19-20H,1-8,11-13H2
InChIKeyFMRNXCNHWDIUAT-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.90
Rot. Bonds4

About N-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]cycloheptanamine

N-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]cycloheptanamine (PubChem CID 82256808) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]cycloheptanamine.

Molecular Properties

Compound NameN-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]cycloheptanamine
PubChem CID82256808
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]cycloheptanamine
SMILESc1cc2c(cc1CCNC1CCCCCC1)CCCN2
InChIInChI=1S/C18H28N2/c1-2-4-8-17(7-3-1)19-13-11-15-9-10-18-16(14-15)6-5-12-20-18/h9-10,14,17,19-20H,1-8,11-13H2
InChIKeyFMRNXCNHWDIUAT-UHFFFAOYSA-N
XLogP3.90
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]cyclopropanamine
CID 82256847
N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)cycloheptanamine
CID 61151262
6-(2-cyclohexylethyl)-1,2,3,4-tetrahydroquinoline
CID 114192887
6-(3,3-dimethylbutyl)-1,2,3,4-tetrahydroquinoline
CID 106778864
6-(2-piperidin-4-ylethyl)-1,2,3,4-tetrahydroquinoline
CID 116997911
N-[2-(3,4-dimethylphenyl)ethyl]cyclohexanamine
CID 62551613
6-[2-(4-methylphenyl)ethyl]-1,2,3,4-tetrahydroquinoline
CID 63968254
6-(cyclobutylmethyl)-1,2,3,4-tetrahydroquinoline
CID 106779249
N',N'-dimethyl-N-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]propane-1,3-diamine
CID 82256820
2-methyl-N-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)propan-2-amine
CID 61150349
6-cyclohexyloxy-1,2,3,4-tetrahydroquinoline
CID 115075220
N-[4-(2,3-dihydro-1H-inden-5-yl)butyl]cyclopentanamine
CID 98016854

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]cycloheptanamine?
The IUPAC name of N-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]cycloheptanamine (CID 82256808) is N-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]cycloheptanamine.
What is the SMILES notation for N-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]cycloheptanamine?
The canonical SMILES for N-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]cycloheptanamine is c1cc2c(cc1CCNC1CCCCCC1)CCCN2.
What is the InChIKey of N-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]cycloheptanamine?
The InChIKey is FMRNXCNHWDIUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-2-4-8-17(7-3-1)19-13-11-15-9-10-18-16(14-15)6-5-12-20-18/h9-10,14,17,19-20H,1-8,11-13H2.
What are the key properties of N-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]cycloheptanamine?
N-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]cycloheptanamine has a molecular weight of 272.44 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,3,4-tetrahydroquinolin-6-yl)ethyl]cycloheptanamine is sourced from PubChem (CID 82256808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).