N-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)ethyl]oxan-4-amine

C16H30N2O — CID 63100030

IUPACN-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)ethyl]oxan-4-amine
SMILESC1CCC2CN(CCNC3CCOCC3)CCC2C1
InChIInChI=1S/C16H30N2O/c1-2-4-15-13-18(9-5-14(15)3-1)10-8-17-16-6-11-19-12-7-16/h14-17H,1-13H2
InChIKeyBCNYNLCASHFWSR-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.27
Rot. Bonds4

About N-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)ethyl]oxan-4-amine

N-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)ethyl]oxan-4-amine (PubChem CID 63100030) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is N-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)ethyl]oxan-4-amine.

Molecular Properties

Compound NameN-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)ethyl]oxan-4-amine
PubChem CID63100030
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC NameN-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)ethyl]oxan-4-amine
SMILESC1CCC2CN(CCNC3CCOCC3)CCC2C1
InChIInChI=1S/C16H30N2O/c1-2-4-15-13-18(9-5-14(15)3-1)10-8-17-16-6-11-19-12-7-16/h14-17H,1-13H2
InChIKeyBCNYNLCASHFWSR-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)ethyl]oxan-4-amine with MolForge

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Related Compounds

N-(2-pyrrolidin-1-ylethyl)oxan-4-amine
CID 43608501
N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethyl]cycloheptanamine
CID 113336240
N-[2-(3-methoxypiperidin-1-yl)ethyl]oxan-4-amine
CID 102968342
N-(2-piperidin-1-ylethyl)oxepan-4-amine
CID 65081716
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-(cyclopropylmethyl)ethanamine
CID 55024318
N-[2-(3-propoxypiperidin-1-yl)ethyl]oxan-4-amine
CID 63098996
N-[2-(4-methylsulfanylazepan-1-yl)ethyl]oxan-4-amine
CID 114238437
N-[2-(1,4-oxazepan-4-yl)ethyl]cyclopropanamine
CID 62987458
N-[2-(3-methylpyrrolidin-1-yl)ethyl]cycloheptanamine
CID 62574590
2-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 58878293
N-(3-morpholin-4-ylpropyl)oxan-4-amine
CID 18349139
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-methylbutan-1-amine
CID 60841189

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)ethyl]oxan-4-amine?
The IUPAC name of N-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)ethyl]oxan-4-amine (CID 63100030) is N-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)ethyl]oxan-4-amine.
What is the SMILES notation for N-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)ethyl]oxan-4-amine?
The canonical SMILES for N-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)ethyl]oxan-4-amine is C1CCC2CN(CCNC3CCOCC3)CCC2C1.
What is the InChIKey of N-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)ethyl]oxan-4-amine?
The InChIKey is BCNYNLCASHFWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-2-4-15-13-18(9-5-14(15)3-1)10-8-17-16-6-11-19-12-7-16/h14-17H,1-13H2.
What are the key properties of N-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)ethyl]oxan-4-amine?
N-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)ethyl]oxan-4-amine has a molecular weight of 266.43 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)ethyl]oxan-4-amine is sourced from PubChem (CID 63100030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).