N-propyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohexan-1-amine

C18H28N2 — CID 79737789

IUPACN-propyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohexan-1-amine
SMILESCCCNC1CCCC(C2CCCc3cccnc32)C1
InChIInChI=1S/C18H28N2/c1-2-11-19-16-9-3-7-15(13-16)17-10-4-6-14-8-5-12-20-18(14)17/h5,8,12,15-17,19H,2-4,6-7,9-11,13H2,1H3
InChIKeyMPEOATHMBGVFRX-UHFFFAOYSA-N
MW272.44 g/mol
LogP4.06
Rot. Bonds4

About N-propyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohexan-1-amine

N-propyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohexan-1-amine (PubChem CID 79737789) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-propyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-propyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohexan-1-amine
PubChem CID79737789
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-propyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohexan-1-amine
SMILESCCCNC1CCCC(C2CCCc3cccnc32)C1
InChIInChI=1S/C18H28N2/c1-2-11-19-16-9-3-7-15(13-16)17-10-4-6-14-8-5-12-20-18(14)17/h5,8,12,15-17,19H,2-4,6-7,9-11,13H2,1H3
InChIKeyMPEOATHMBGVFRX-UHFFFAOYSA-N
XLogP4.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-propylcyclopentan-1-amine
CID 79738593
3-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-ethylcycloheptan-1-amine
CID 79738960
N-propyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 79748838
N-propyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 79738591
3-(2-phenylcyclopropyl)-N-propylcyclohexan-1-amine
CID 116518288
7-(3-chlorocycloheptyl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 79738397
N-methyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)propan-1-amine
CID 79748588
N-propyl-4-(5,6,7,8-tetrahydroquinolin-8-yl)-1,2,5-thiadiazol-3-amine
CID 79739368
N',N'-diethyl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]ethane-1,2-diamine
CID 97132888
N-prop-2-ynyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079711
N-propyl-3-pyrimidin-2-ylsulfanylcyclohexan-1-amine
CID 64718239
N-(3-ethoxypropyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79080293

Frequently Asked Questions

What is the IUPAC name of N-propyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohexan-1-amine?
The IUPAC name of N-propyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohexan-1-amine (CID 79737789) is N-propyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohexan-1-amine.
What is the SMILES notation for N-propyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohexan-1-amine?
The canonical SMILES for N-propyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohexan-1-amine is CCCNC1CCCC(C2CCCc3cccnc32)C1.
What is the InChIKey of N-propyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohexan-1-amine?
The InChIKey is MPEOATHMBGVFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-2-11-19-16-9-3-7-15(13-16)17-10-4-6-14-8-5-12-20-18(14)17/h5,8,12,15-17,19H,2-4,6-7,9-11,13H2,1H3.
What are the key properties of N-propyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohexan-1-amine?
N-propyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohexan-1-amine has a molecular weight of 272.44 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohexan-1-amine is sourced from PubChem (CID 79737789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).