4-[1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethylideneamino]-2,4-dimethylpentan-2-amine

C18H35N3 — CID 91336684

IUPAC4-[1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethylideneamino]-2,4-dimethylpentan-2-amine
SMILESC/C(=N\C(C)(C)CC(C)(C)N)N1CCCC2CCCCC21
InChIInChI=1S/C18H35N3/c1-14(20-18(4,5)13-17(2,3)19)21-12-8-10-15-9-6-7-11-16(15)21/h15-16H,6-13,19H2,1-5H3/b20-14+
InChIKeyHMYOGJWNHBYVBC-XSFVSMFZSA-N
MW293.50 g/mol
LogP3.97
Rot. Bonds3

About 4-[1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethylideneamino]-2,4-dimethylpentan-2-amine

4-[1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethylideneamino]-2,4-dimethylpentan-2-amine (PubChem CID 91336684) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is 4-[1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethylideneamino]-2,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name4-[1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethylideneamino]-2,4-dimethylpentan-2-amine
PubChem CID91336684
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Name4-[1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethylideneamino]-2,4-dimethylpentan-2-amine
SMILESC/C(=N\C(C)(C)CC(C)(C)N)N1CCCC2CCCCC21
InChIInChI=1S/C18H35N3/c1-14(20-18(4,5)13-17(2,3)19)21-12-8-10-15-9-6-7-11-16(15)21/h15-16H,6-13,19H2,1-5H3/b20-14+
InChIKeyHMYOGJWNHBYVBC-XSFVSMFZSA-N
XLogP3.97
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3,7,10-Trimethyl-4-(4-methylcyclohexyl)-2,4,8-triazatricyclo[7.3.1.05,13]tridec-2-ene
CID 145839738
N,1-dimethyl-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-imine
CID 156533459
3-Methyl-12-propan-2-yl-13-propan-2-ylimino-12-azabicyclo[9.4.0]pentadecan-3-amine
CID 167191019
6-methyl-2-methylimino-1-propan-2-yl-4,4a,5,7,8,9,10,11,12,12a-decahydro-3H-cyclodeca[b]pyridin-6-amine
CID 169679991
6-methyl-1-propan-2-yl-2-propan-2-ylimino-4,4a,5,7,8,9,10,11,12,12a-decahydro-3H-cyclodeca[b]pyridin-6-amine
CID 169679994
CID 170953405
CID 170953405
CID 170953406
CID 170953406
N,5-dimethyl-1-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydroquinolin-2-imine;ethane
CID 171106634
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)pentanimidamide
CID 43628265
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-methylpropanimidamide
CID 43628266
N'-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboximidamide
CID 55064336
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)butanimidamide
CID 60914528

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethylideneamino]-2,4-dimethylpentan-2-amine?
The IUPAC name of 4-[1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethylideneamino]-2,4-dimethylpentan-2-amine (CID 91336684) is 4-[1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethylideneamino]-2,4-dimethylpentan-2-amine.
What is the SMILES notation for 4-[1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethylideneamino]-2,4-dimethylpentan-2-amine?
The canonical SMILES for 4-[1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethylideneamino]-2,4-dimethylpentan-2-amine is C/C(=N\C(C)(C)CC(C)(C)N)N1CCCC2CCCCC21.
What is the InChIKey of 4-[1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethylideneamino]-2,4-dimethylpentan-2-amine?
The InChIKey is HMYOGJWNHBYVBC-XSFVSMFZSA-N. The full InChI is InChI=1S/C18H35N3/c1-14(20-18(4,5)13-17(2,3)19)21-12-8-10-15-9-6-7-11-16(15)21/h15-16H,6-13,19H2,1-5H3/b20-14+.
What are the key properties of 4-[1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethylideneamino]-2,4-dimethylpentan-2-amine?
4-[1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethylideneamino]-2,4-dimethylpentan-2-amine has a molecular weight of 293.50 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethylideneamino]-2,4-dimethylpentan-2-amine is sourced from PubChem (CID 91336684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).