N,5-dimethyl-1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-imine;ethane

C16H32N2 — CID 171106634

IUPACN,5-dimethyl-1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-imine;ethane
SMILESC/N=C1\CCC2C(C)CCCC2N1C(C)C.CC
InChIInChI=1S/C14H26N2.C2H6/c1-10(2)16-13-7-5-6-11(3)12(13)8-9-14(16)15-4;1-2/h10-13H,5-9H2,1-4H3;1-2H3/b15-14+;
InChIKeyMUGIBNAODNHXFY-WPDLWGESSA-N
MW252.45 g/mol
LogP4.35
Rot. Bonds1

About N,5-dimethyl-1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-imine;ethane

N,5-dimethyl-1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-imine;ethane (PubChem CID 171106634) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N,5-dimethyl-1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-imine;ethane.

Molecular Properties

Compound NameN,5-dimethyl-1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-imine;ethane
PubChem CID171106634
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN,5-dimethyl-1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-imine;ethane
SMILESC/N=C1\CCC2C(C)CCCC2N1C(C)C.CC
InChIInChI=1S/C14H26N2.C2H6/c1-10(2)16-13-7-5-6-11(3)12(13)8-9-14(16)15-4;1-2/h10-13H,5-9H2,1-4H3;1-2H3/b15-14+;
InChIKeyMUGIBNAODNHXFY-WPDLWGESSA-N
XLogP4.35
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N,5-dimethyl-1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-imine;ethane with MolForge

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Related Compounds

Dimethylocta-hydronaphthyridine
CID 129700059
Methylethyloctahydro-naphthyridine
CID 129700063
4-[1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethylideneamino]-2,4-dimethylpentan-2-amine
CID 91336684
CID 142616142
CID 142616142
CID 155706738
CID 155706738
CID 155751073
CID 155751073
N,1-dimethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-imine
CID 156533459
N,2,7-trimethyl-3,4,4a,5,6,7,8,8a-octahydroisoquinolin-1-imine
CID 156533464
CID 156795122
CID 156795122
CID 163268598
CID 163268598
5,5-dimethyl-N,1-di(propan-2-yl)-4,4a,6,7,8,8a-hexahydro-3H-quinolin-2-imine
CID 166684649
N,2-dimethyl-3,4,4a,5,6,7,8,8a-octahydroisoquinolin-1-imine
CID 167156538

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-imine;ethane?
The IUPAC name of N,5-dimethyl-1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-imine;ethane (CID 171106634) is N,5-dimethyl-1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-imine;ethane.
What is the SMILES notation for N,5-dimethyl-1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-imine;ethane?
The canonical SMILES for N,5-dimethyl-1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-imine;ethane is C/N=C1\CCC2C(C)CCCC2N1C(C)C.CC.
What is the InChIKey of N,5-dimethyl-1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-imine;ethane?
The InChIKey is MUGIBNAODNHXFY-WPDLWGESSA-N. The full InChI is InChI=1S/C14H26N2.C2H6/c1-10(2)16-13-7-5-6-11(3)12(13)8-9-14(16)15-4;1-2/h10-13H,5-9H2,1-4H3;1-2H3/b15-14+;.
What are the key properties of N,5-dimethyl-1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-imine;ethane?
N,5-dimethyl-1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-imine;ethane has a molecular weight of 252.45 g/mol, XLogP of 4.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-imine;ethane is sourced from PubChem (CID 171106634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).