N-butyl-N-ethyl-7-methyl-2,3,5,6,7,8-hexahydroquinolin-8-amine

C16H28N2 — CID 142417058

IUPACN-butyl-N-ethyl-7-methyl-2,3,5,6,7,8-hexahydroquinolin-8-amine
SMILESCCCCN(CC)C1C2=NCCC=C2CCC1C
InChIInChI=1S/C16H28N2/c1-4-6-12-18(5-2)16-13(3)9-10-14-8-7-11-17-15(14)16/h8,13,16H,4-7,9-12H2,1-3H3
InChIKeyFVESDJOSTSVPCK-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.68
Rot. Bonds5

About N-butyl-N-ethyl-7-methyl-2,3,5,6,7,8-hexahydroquinolin-8-amine

N-butyl-N-ethyl-7-methyl-2,3,5,6,7,8-hexahydroquinolin-8-amine (PubChem CID 142417058) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N-butyl-N-ethyl-7-methyl-2,3,5,6,7,8-hexahydroquinolin-8-amine.

Molecular Properties

Compound NameN-butyl-N-ethyl-7-methyl-2,3,5,6,7,8-hexahydroquinolin-8-amine
PubChem CID142417058
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN-butyl-N-ethyl-7-methyl-2,3,5,6,7,8-hexahydroquinolin-8-amine
SMILESCCCCN(CC)C1C2=NCCC=C2CCC1C
InChIInChI=1S/C16H28N2/c1-4-6-12-18(5-2)16-13(3)9-10-14-8-7-11-17-15(14)16/h8,13,16H,4-7,9-12H2,1-3H3
InChIKeyFVESDJOSTSVPCK-UHFFFAOYSA-N
XLogP3.68
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4aR,7Z)-7-ethylidene-N-methyl-1-propyl-3,4,4a,5,8,8a-hexahydro-2H-quinolin-6-imine
CID 58634016
N-ethyl-N-methyl-3-[4-(1,7,12-trimethyl-3,4,6,7,10,11-hexahydrocyclodeca[c]pyridin-3-yl)cyclohexa-1,5-dien-1-yl]propan-1-amine
CID 123440338
N,4-dimethyl-N-[(Z)-3-[(Z)-prop-1-enyl]iminohex-4-en-2-yl]cyclohexan-1-amine
CID 130459547
2-Propan-2-yl-4a,5,6,7,8,8a-hexahydroquinoline
CID 134228469
2-Hexyl-3-pentyl-4a,5,6,7,8,8a-hexahydroquinoline
CID 140474535
N,N,2,3-tetramethyl-4,4a,5,6-tetrahydroquinolin-7-amine
CID 146555145
(4aR,7Z)-7-ethylidene-N-methyl-1-propyl-3,4,4a,5,8,8a-hexahydro-2H-quinolin-6-imine;azane
CID 158236843
1-methyl-4-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-3,6-dihydro-2H-pyridine
CID 164753594
N,2-dimethyl-10-(4-propylpiperidin-1-yl)dec-2-en-4-imine
CID 168196730
2,4-diethyl-2,8-dimethyl-N-propan-2-yl-3,4-dihydroquinolin-6-imine
CID 171819741
N-butan-2-yl-8-ethyl-2,2,4-trimethyl-3,4-dihydroquinolin-6-imine
CID 171819798
N-butan-2-yl-2,2,4,8-tetramethyl-3,4-dihydroquinolin-6-imine
CID 172324126

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-7-methyl-2,3,5,6,7,8-hexahydroquinolin-8-amine?
The IUPAC name of N-butyl-N-ethyl-7-methyl-2,3,5,6,7,8-hexahydroquinolin-8-amine (CID 142417058) is N-butyl-N-ethyl-7-methyl-2,3,5,6,7,8-hexahydroquinolin-8-amine.
What is the SMILES notation for N-butyl-N-ethyl-7-methyl-2,3,5,6,7,8-hexahydroquinolin-8-amine?
The canonical SMILES for N-butyl-N-ethyl-7-methyl-2,3,5,6,7,8-hexahydroquinolin-8-amine is CCCCN(CC)C1C2=NCCC=C2CCC1C.
What is the InChIKey of N-butyl-N-ethyl-7-methyl-2,3,5,6,7,8-hexahydroquinolin-8-amine?
The InChIKey is FVESDJOSTSVPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-4-6-12-18(5-2)16-13(3)9-10-14-8-7-11-17-15(14)16/h8,13,16H,4-7,9-12H2,1-3H3.
What are the key properties of N-butyl-N-ethyl-7-methyl-2,3,5,6,7,8-hexahydroquinolin-8-amine?
N-butyl-N-ethyl-7-methyl-2,3,5,6,7,8-hexahydroquinolin-8-amine has a molecular weight of 248.41 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-7-methyl-2,3,5,6,7,8-hexahydroquinolin-8-amine is sourced from PubChem (CID 142417058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).