4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-2,3,3-trimethylcyclohexan-1-amine

C19H36N2 — CID 102627661

IUPAC4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-2,3,3-trimethylcyclohexan-1-amine
SMILESCC1C(N)CCC(CN2CCCC3CCCCC32)C1(C)C
InChIInChI=1S/C19H36N2/c1-14-17(20)11-10-16(19(14,2)3)13-21-12-6-8-15-7-4-5-9-18(15)21/h14-18H,4-13,20H2,1-3H3
InChIKeyIGWGAVGNDRFEFJ-UHFFFAOYSA-N
MW292.51 g/mol
LogP4.04
Rot. Bonds2

About 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-2,3,3-trimethylcyclohexan-1-amine

4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-2,3,3-trimethylcyclohexan-1-amine (PubChem CID 102627661) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-2,3,3-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-2,3,3-trimethylcyclohexan-1-amine
PubChem CID102627661
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC Name4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-2,3,3-trimethylcyclohexan-1-amine
SMILESCC1C(N)CCC(CN2CCCC3CCCCC32)C1(C)C
InChIInChI=1S/C19H36N2/c1-14-17(20)11-10-16(19(14,2)3)13-21-12-6-8-15-7-4-5-9-18(15)21/h14-18H,4-13,20H2,1-3H3
InChIKeyIGWGAVGNDRFEFJ-UHFFFAOYSA-N
XLogP4.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-2,3,3-trimethylcyclohexan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

4-(azepan-1-ylmethyl)-2,3,3-trimethylcyclohexan-1-amine
CID 102627583
2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-4-methylcyclohexan-1-amine
CID 62611368
6-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-2,2-dimethylcyclohexan-1-amine
CID 79853185
4-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 79912449
2-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)ethyl]cyclopentan-1-amine
CID 79570627
5-[(2-cyclopentylpyrrolidin-1-yl)methyl]-2,2-dimethylcyclopentan-1-ol
CID 79855662
4-[(2-cyclopentylpyrrolidin-1-yl)methyl]-4-methyloxolan-3-amine
CID 66263076
2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 102728306
4-[[cyclohexylmethyl(methyl)amino]methyl]-2,3,3-trimethylcyclohexan-1-amine
CID 102627741
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-4-ethylcyclohexan-1-amine
CID 82751935
4-[(2-cyclopentylpyrrolidin-1-yl)methyl]-N-methyloxolan-3-amine
CID 66247758
[(1R,3R,4R)-4-amino-2,2,3-trimethylcyclohexyl]methanol
CID 98289832

Frequently Asked Questions

What is the IUPAC name of 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-2,3,3-trimethylcyclohexan-1-amine?
The IUPAC name of 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-2,3,3-trimethylcyclohexan-1-amine (CID 102627661) is 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-2,3,3-trimethylcyclohexan-1-amine.
What is the SMILES notation for 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-2,3,3-trimethylcyclohexan-1-amine?
The canonical SMILES for 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-2,3,3-trimethylcyclohexan-1-amine is CC1C(N)CCC(CN2CCCC3CCCCC32)C1(C)C.
What is the InChIKey of 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-2,3,3-trimethylcyclohexan-1-amine?
The InChIKey is IGWGAVGNDRFEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2/c1-14-17(20)11-10-16(19(14,2)3)13-21-12-6-8-15-7-4-5-9-18(15)21/h14-18H,4-13,20H2,1-3H3.
What are the key properties of 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-2,3,3-trimethylcyclohexan-1-amine?
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-2,3,3-trimethylcyclohexan-1-amine has a molecular weight of 292.51 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-2,3,3-trimethylcyclohexan-1-amine is sourced from PubChem (CID 102627661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).