2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-(cyclopropylmethyl)ethanamine

C15H28N2 — CID 55024318

IUPAC2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-(cyclopropylmethyl)ethanamine
SMILESC1CCC2CN(CCNCC3CC3)CCC2C1
InChIInChI=1S/C15H28N2/c1-2-4-15-12-17(9-7-14(15)3-1)10-8-16-11-13-5-6-13/h13-16H,1-12H2
InChIKeyLRATZMNUJXMFHI-UHFFFAOYSA-N
MW236.40 g/mol
LogP2.50
Rot. Bonds5

About 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-(cyclopropylmethyl)ethanamine

2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-(cyclopropylmethyl)ethanamine (PubChem CID 55024318) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-(cyclopropylmethyl)ethanamine.

Molecular Properties

Compound Name2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-(cyclopropylmethyl)ethanamine
PubChem CID55024318
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-(cyclopropylmethyl)ethanamine
SMILESC1CCC2CN(CCNCC3CC3)CCC2C1
InChIInChI=1S/C15H28N2/c1-2-4-15-12-17(9-7-14(15)3-1)10-8-16-11-13-5-6-13/h13-16H,1-12H2
InChIKeyLRATZMNUJXMFHI-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)ethyl]-3-methoxypropan-1-amine
CID 55089962
N-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)ethyl]-4-methylpentan-1-amine
CID 63502695
N-(cyclohexylmethyl)-2-[4-(cyclopropylmethyl)piperazin-1-yl]ethanamine
CID 62557787
2-[1-[2-(cyclopropylmethylamino)ethyl]pyrrolidin-3-yl]-N-methylethanamine
CID 83963164
N-(cyclopentylmethyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine
CID 55216811
N-[2-[1-[2-(cyclopropylmethylamino)ethyl]pyrrolidin-3-yl]ethyl]propan-2-amine
CID 83963211
2-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 58878293
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-methylbutan-1-amine
CID 60841189
N-[2-[1-[2-(cyclohexylmethylamino)ethyl]pyrrolidin-3-yl]ethyl]cyclopropanamine
CID 83963231
N-(cyclohexylmethyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine
CID 55216809
N-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)ethyl]oxan-4-amine
CID 63100030
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)ethanamine;hydrochloride
CID 130157372

Frequently Asked Questions

What is the IUPAC name of 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-(cyclopropylmethyl)ethanamine?
The IUPAC name of 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-(cyclopropylmethyl)ethanamine (CID 55024318) is 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-(cyclopropylmethyl)ethanamine.
What is the SMILES notation for 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-(cyclopropylmethyl)ethanamine?
The canonical SMILES for 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-(cyclopropylmethyl)ethanamine is C1CCC2CN(CCNCC3CC3)CCC2C1.
What is the InChIKey of 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-(cyclopropylmethyl)ethanamine?
The InChIKey is LRATZMNUJXMFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-2-4-15-12-17(9-7-14(15)3-1)10-8-16-11-13-5-6-13/h13-16H,1-12H2.
What are the key properties of 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-(cyclopropylmethyl)ethanamine?
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-(cyclopropylmethyl)ethanamine has a molecular weight of 236.40 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-(cyclopropylmethyl)ethanamine is sourced from PubChem (CID 55024318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).