N,N-dimethyl-2-(7-methylimino-2,3,4,4a,8,8a-hexahydroquinolin-1-yl)ethanamine

C14H25N3 — CID 123984515

IUPACN,N-dimethyl-2-(7-methylimino-2,3,4,4a,8,8a-hexahydroquinolin-1-yl)ethanamine
SMILESC/N=C1\C=CC2CCCN(CCN(C)C)C2C1
InChIInChI=1S/C14H25N3/c1-15-13-7-6-12-5-4-8-17(14(12)11-13)10-9-16(2)3/h6-7,12,14H,4-5,8-11H2,1-3H3/b15-13+
InChIKeyLZJLBYSWBZFDTJ-FYWRMAATSA-N
MW235.37 g/mol
LogP1.66
Rot. Bonds3

About N,N-dimethyl-2-(7-methylimino-2,3,4,4a,8,8a-hexahydroquinolin-1-yl)ethanamine

N,N-dimethyl-2-(7-methylimino-2,3,4,4a,8,8a-hexahydroquinolin-1-yl)ethanamine (PubChem CID 123984515) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is N,N-dimethyl-2-(7-methylimino-2,3,4,4a,8,8a-hexahydroquinolin-1-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(7-methylimino-2,3,4,4a,8,8a-hexahydroquinolin-1-yl)ethanamine
PubChem CID123984515
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC NameN,N-dimethyl-2-(7-methylimino-2,3,4,4a,8,8a-hexahydroquinolin-1-yl)ethanamine
SMILESC/N=C1\C=CC2CCCN(CCN(C)C)C2C1
InChIInChI=1S/C14H25N3/c1-15-13-7-6-12-5-4-8-17(14(12)11-13)10-9-16(2)3/h6-7,12,14H,4-5,8-11H2,1-3H3/b15-13+
InChIKeyLZJLBYSWBZFDTJ-FYWRMAATSA-N
XLogP1.66
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-2-(7-methylimino-2,3,4,4a,8,8a-hexahydroquinolin-1-yl)ethanamine with MolForge

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Launch Full Analysis

Related Compounds

7-(1-Methylpiperidin-4-yl)-2,3,4,4a,7,8-hexahydroquinoline
CID 57177279
(4aR,7Z)-7-ethylidene-N-methyl-1-propyl-3,4,4a,5,8,8a-hexahydro-2H-quinolin-6-imine
CID 58634016
(3Z)-2-ethyl-6-methyl-3-prop-2-enylidene-4,5,7,7a-tetrahydro-3aH-pyrrolo[2,3-c]pyridine
CID 90774321
2-(3-Methylhex-5-en-2-yl)-1,3,3a,7,8,8a,9,9a-octahydropyrrolo[3,4-b]quinoline
CID 90983086
4,6,6a,9,10,10a,11,11a-octahydro-1H-pyrazino[1,2-b]isoquinoline
CID 91193707
5-Methyl-4-[(4-methylpiperazin-1-yl)methyl]cyclohex-2-en-1-imine
CID 123282533
N-ethyl-N-methyl-3-[4-(1,7,12-trimethyl-3,4,6,7,10,11-hexahydrocyclodeca[c]pyridin-3-yl)cyclohexa-1,5-dien-1-yl]propan-1-amine
CID 123440338
1-methyl-N-[2-[(4-methylcyclohex-2-en-1-ylidene)amino]ethyl]piperidin-4-amine
CID 123479366
N-(4-ethyl-3,6-dimethylnon-7-en-2-yl)-4-(4-methylpiperazin-1-yl)cyclohexan-1-imine
CID 124023897
[6-Ethyl-2-[1-(5-methylhexan-2-yl)piperidin-4-yl]cyclohex-3-en-1-ylidene]cyanamide
CID 141065261
(4aR,7Z)-7-ethylidene-N-methyl-1-propyl-3,4,4a,5,8,8a-hexahydro-2H-quinolin-6-imine;azane
CID 158236843
N,2-dimethyl-10-(4-propylpiperidin-1-yl)dec-2-en-4-imine
CID 168196730

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(7-methylimino-2,3,4,4a,8,8a-hexahydroquinolin-1-yl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(7-methylimino-2,3,4,4a,8,8a-hexahydroquinolin-1-yl)ethanamine (CID 123984515) is N,N-dimethyl-2-(7-methylimino-2,3,4,4a,8,8a-hexahydroquinolin-1-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(7-methylimino-2,3,4,4a,8,8a-hexahydroquinolin-1-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(7-methylimino-2,3,4,4a,8,8a-hexahydroquinolin-1-yl)ethanamine is C/N=C1\C=CC2CCCN(CCN(C)C)C2C1.
What is the InChIKey of N,N-dimethyl-2-(7-methylimino-2,3,4,4a,8,8a-hexahydroquinolin-1-yl)ethanamine?
The InChIKey is LZJLBYSWBZFDTJ-FYWRMAATSA-N. The full InChI is InChI=1S/C14H25N3/c1-15-13-7-6-12-5-4-8-17(14(12)11-13)10-9-16(2)3/h6-7,12,14H,4-5,8-11H2,1-3H3/b15-13+.
What are the key properties of N,N-dimethyl-2-(7-methylimino-2,3,4,4a,8,8a-hexahydroquinolin-1-yl)ethanamine?
N,N-dimethyl-2-(7-methylimino-2,3,4,4a,8,8a-hexahydroquinolin-1-yl)ethanamine has a molecular weight of 235.37 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(7-methylimino-2,3,4,4a,8,8a-hexahydroquinolin-1-yl)ethanamine is sourced from PubChem (CID 123984515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).