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

C16H30N2 — CID 60851063

IUPAC4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)cyclohexan-1-amine
SMILESNC1CCC(CN2CCC3CCCCC3C2)CC1
InChIInChI=1S/C16H30N2/c17-16-7-5-13(6-8-16)11-18-10-9-14-3-1-2-4-15(14)12-18/h13-16H,1-12,17H2
InChIKeySOYYAELNUHTCFI-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.02
Rot. Bonds2

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

4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)cyclohexan-1-amine (PubChem CID 60851063) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)cyclohexan-1-amine
PubChem CID60851063
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)cyclohexan-1-amine
SMILESNC1CCC(CN2CCC3CCCCC3C2)CC1
InChIInChI=1S/C16H30N2/c17-16-7-5-13(6-8-16)11-18-10-9-14-3-1-2-4-15(14)12-18/h13-16H,1-12,17H2
InChIKeySOYYAELNUHTCFI-UHFFFAOYSA-N
XLogP3.02
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

2-(Decahydroisoquinolin-2-yl)ethan-1-amine
CID 5121507
2-Methyl-7-amino-cis-decahydroisoquinoline
CID 6453796
Perhydrophenanthri-dine
CID 14299729
3-Methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline
CID 21337487
1-Methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline
CID 21648680
(3R)-3-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline
CID 54107181
N-aminoethylperhydroacridine
CID 129782943
1-[(2-Fluorocyclohexyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium
CID 163155926
1-[(4-Fluorocyclohexyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium
CID 163166427
2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-7-amine
CID 12279863
2-Methyl-decahydroisoquinolin-5-amine
CID 12596829
2-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-8-amine
CID 12999507

Frequently Asked Questions

What is the IUPAC name of 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)cyclohexan-1-amine (CID 60851063) is 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)cyclohexan-1-amine is NC1CCC(CN2CCC3CCCCC3C2)CC1.
What is the InChIKey of 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)cyclohexan-1-amine?
The InChIKey is SOYYAELNUHTCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c17-16-7-5-13(6-8-16)11-18-10-9-14-3-1-2-4-15(14)12-18/h13-16H,1-12,17H2.
What are the key properties of 4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)cyclohexan-1-amine?
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)cyclohexan-1-amine has a molecular weight of 250.43 g/mol, XLogP of 3.02, 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-1H-isoquinolin-2-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 60851063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).