N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-(2-methoxyethyl)prop-2-en-1-amine

C16H30N2O — CID 103339279

IUPACN-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-(2-methoxyethyl)prop-2-en-1-amine
SMILESC=CCN(CCOC)CC1CCC2CCCCC2N1
InChIInChI=1S/C16H30N2O/c1-3-10-18(11-12-19-2)13-15-9-8-14-6-4-5-7-16(14)17-15/h3,14-17H,1,4-13H2,2H3
InChIKeyMPMNFHHLUDBAPT-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.43
Rot. Bonds7

About N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-(2-methoxyethyl)prop-2-en-1-amine

N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-(2-methoxyethyl)prop-2-en-1-amine (PubChem CID 103339279) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-(2-methoxyethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-(2-methoxyethyl)prop-2-en-1-amine
PubChem CID103339279
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC NameN-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-(2-methoxyethyl)prop-2-en-1-amine
SMILESC=CCN(CCOC)CC1CCC2CCCCC2N1
InChIInChI=1S/C16H30N2O/c1-3-10-18(11-12-19-2)13-15-9-8-14-6-4-5-7-16(14)17-15/h3,14-17H,1,4-13H2,2H3
InChIKeyMPMNFHHLUDBAPT-UHFFFAOYSA-N
XLogP2.43
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-(2-methoxyethyl)propan-2-amine
CID 82950918
N-(2-methoxyethyl)-N-(piperidin-4-ylmethyl)prop-2-en-1-amine
CID 103339364
N-(2-methoxyethyl)-N-(2-pyrrolidin-2-ylethyl)prop-2-en-1-amine
CID 103339292
1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N-methoxy-N-methylmethanamine
CID 114396569
1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-N,N-dimethylmethanamine
CID 66469009
N-(2-methoxyethyl)-N-(thiomorpholin-3-ylmethyl)prop-2-en-1-amine
CID 103339487
N-(2-methoxyethyl)-N-[(4-methoxypyrrolidin-2-yl)methyl]prop-2-en-1-amine
CID 103339373
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-2-ethoxy-N-(2-ethoxyethyl)ethanamine
CID 82960788
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-ylmethyl)-2-ethoxy-N-ethylethanamine
CID 55227896
N-(azepan-2-ylmethyl)-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 64569967
N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-ethyl-2-methylbutan-1-amine
CID 79470156
N-[[5-(aminomethyl)oxolan-2-yl]methyl]-N-(2-methoxyethyl)prop-2-en-1-amine
CID 103339453

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-(2-methoxyethyl)prop-2-en-1-amine?
The IUPAC name of N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-(2-methoxyethyl)prop-2-en-1-amine (CID 103339279) is N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-(2-methoxyethyl)prop-2-en-1-amine.
What is the SMILES notation for N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-(2-methoxyethyl)prop-2-en-1-amine?
The canonical SMILES for N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-(2-methoxyethyl)prop-2-en-1-amine is C=CCN(CCOC)CC1CCC2CCCCC2N1.
What is the InChIKey of N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-(2-methoxyethyl)prop-2-en-1-amine?
The InChIKey is MPMNFHHLUDBAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-3-10-18(11-12-19-2)13-15-9-8-14-6-4-5-7-16(14)17-15/h3,14-17H,1,4-13H2,2H3.
What are the key properties of N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-(2-methoxyethyl)prop-2-en-1-amine?
N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-(2-methoxyethyl)prop-2-en-1-amine has a molecular weight of 266.43 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-ylmethyl)-N-(2-methoxyethyl)prop-2-en-1-amine is sourced from PubChem (CID 103339279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).