N,N-dimethyl-4-[(1-methylpiperidin-2-ylidene)amino]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium-2-amine

C17H33N4+ — CID 163117084

IUPACN,N-dimethyl-4-[(1-methylpiperidin-2-ylidene)amino]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium-2-amine
SMILESCN1CCCC/C1=N/C1CC(N(C)C)[NH2+]C2CCCCC12
InChIInChI=1S/C17H32N4/c1-20(2)17-12-15(13-8-4-5-9-14(13)18-17)19-16-10-6-7-11-21(16)3/h13-15,17-18H,4-12H2,1-3H3/p+1/b19-16-
InChIKeyIJDYRJAMBAONAZ-MNDPQUGUSA-O
MW293.48 g/mol
LogP1.28
Rot. Bonds2

About N,N-dimethyl-4-[(1-methylpiperidin-2-ylidene)amino]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium-2-amine

N,N-dimethyl-4-[(1-methylpiperidin-2-ylidene)amino]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium-2-amine (PubChem CID 163117084) has the molecular formula C17H33N4+ and a molecular weight of 293.48 g/mol. Its IUPAC name is N,N-dimethyl-4-[(1-methylpiperidin-2-ylidene)amino]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-[(1-methylpiperidin-2-ylidene)amino]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium-2-amine
PubChem CID163117084
Molecular FormulaC17H33N4+
Molecular Weight293.48 g/mol
Exact Mass293.27
IUPAC NameN,N-dimethyl-4-[(1-methylpiperidin-2-ylidene)amino]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium-2-amine
SMILESCN1CCCC/C1=N/C1CC(N(C)C)[NH2+]C2CCCCC12
InChIInChI=1S/C17H32N4/c1-20(2)17-12-15(13-8-4-5-9-14(13)18-17)19-16-10-6-7-11-21(16)3/h13-15,17-18H,4-12H2,1-3H3/p+1/b19-16-
InChIKeyIJDYRJAMBAONAZ-MNDPQUGUSA-O
XLogP1.28
TPSA35.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(1-methylpiperidin-2-ylidene)amino]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium-2-amine?
The IUPAC name of N,N-dimethyl-4-[(1-methylpiperidin-2-ylidene)amino]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium-2-amine (CID 163117084) is N,N-dimethyl-4-[(1-methylpiperidin-2-ylidene)amino]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium-2-amine.
What is the SMILES notation for N,N-dimethyl-4-[(1-methylpiperidin-2-ylidene)amino]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium-2-amine?
The canonical SMILES for N,N-dimethyl-4-[(1-methylpiperidin-2-ylidene)amino]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium-2-amine is CN1CCCC/C1=N/C1CC(N(C)C)[NH2+]C2CCCCC12.
What is the InChIKey of N,N-dimethyl-4-[(1-methylpiperidin-2-ylidene)amino]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium-2-amine?
The InChIKey is IJDYRJAMBAONAZ-MNDPQUGUSA-O. The full InChI is InChI=1S/C17H32N4/c1-20(2)17-12-15(13-8-4-5-9-14(13)18-17)19-16-10-6-7-11-21(16)3/h13-15,17-18H,4-12H2,1-3H3/p+1/b19-16-.
What are the key properties of N,N-dimethyl-4-[(1-methylpiperidin-2-ylidene)amino]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium-2-amine?
N,N-dimethyl-4-[(1-methylpiperidin-2-ylidene)amino]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium-2-amine has a molecular weight of 293.48 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(1-methylpiperidin-2-ylidene)amino]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium-2-amine is sourced from PubChem (CID 163117084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).