1-(6-hexyl-5-methyl-2H-pyridin-1-yl)-N,N-dimethylazetidin-3-amine

C17H31N3 — CID 90845625

IUPAC1-(6-hexyl-5-methyl-2H-pyridin-1-yl)-N,N-dimethylazetidin-3-amine
SMILESCCCCCCC1=C(C)C=CCN1N1CC(N(C)C)C1
InChIInChI=1S/C17H31N3/c1-5-6-7-8-11-17-15(2)10-9-12-20(17)19-13-16(14-19)18(3)4/h9-10,16H,5-8,11-14H2,1-4H3
InChIKeyOTMSQXNQJKXCDA-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.26
Rot. Bonds7

About 1-(6-hexyl-5-methyl-2H-pyridin-1-yl)-N,N-dimethylazetidin-3-amine

1-(6-hexyl-5-methyl-2H-pyridin-1-yl)-N,N-dimethylazetidin-3-amine (PubChem CID 90845625) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 1-(6-hexyl-5-methyl-2H-pyridin-1-yl)-N,N-dimethylazetidin-3-amine.

Molecular Properties

Compound Name1-(6-hexyl-5-methyl-2H-pyridin-1-yl)-N,N-dimethylazetidin-3-amine
PubChem CID90845625
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name1-(6-hexyl-5-methyl-2H-pyridin-1-yl)-N,N-dimethylazetidin-3-amine
SMILESCCCCCCC1=C(C)C=CCN1N1CC(N(C)C)C1
InChIInChI=1S/C17H31N3/c1-5-6-7-8-11-17-15(2)10-9-12-20(17)19-13-16(14-19)18(3)4/h9-10,16H,5-8,11-14H2,1-4H3
InChIKeyOTMSQXNQJKXCDA-UHFFFAOYSA-N
XLogP3.26
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(6-hexyl-5-methyl-2H-pyridin-1-yl)-4-methylpiperazine
CID 90942197
1-(6-hexyl-5-methyl-2H-pyridin-1-yl)-4-methyl-1,4-diazepane
CID 91215272
N,N'-dimethyl-N-(1-methylazetidin-3-yl)-N'-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine;ethane
CID 142368617
ethane;N-(1-ethylazetidin-3-yl)-N,N'-dimethyl-N'-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine
CID 142386287
N-(1-ethylazetidin-3-yl)-N,N'-dimethyl-N'-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine
CID 142386288
N,N'-dimethyl-N'-(4-methylcyclohexa-1,3-dien-1-yl)-N-(1-propan-2-ylazetidin-3-yl)ethane-1,2-diamine;ethane
CID 142390278
N,N'-dimethyl-N-(1-methylazetidin-3-yl)-N'-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine;ethane
CID 142390671
1-(2-hexyl-3-methyl-2H-pyridin-1-yl)-N,N-dimethylazetidin-3-amine
CID 149705220
5-ethyl-1,2-dimethyl-6-[(1Z,4E)-octa-1,4-dienyl]-3,4-dihydro-2H-pyridine
CID 155456119
ethane;N-(1-ethylazetidin-3-yl)-N,N'-dimethyl-N'-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine
CID 156719905
N,N'-dimethyl-N'-(4-methylcyclohexa-1,3-dien-1-yl)-N-(1-prop-1-en-2-ylazetidin-3-yl)ethane-1,2-diamine
CID 156866909
N,N'-dimethyl-N-(1-methylazetidin-3-yl)-N'-(4-methylcyclohexa-1,3-dien-1-yl)ethane-1,2-diamine;ethane
CID 165137324

Frequently Asked Questions

What is the IUPAC name of 1-(6-hexyl-5-methyl-2H-pyridin-1-yl)-N,N-dimethylazetidin-3-amine?
The IUPAC name of 1-(6-hexyl-5-methyl-2H-pyridin-1-yl)-N,N-dimethylazetidin-3-amine (CID 90845625) is 1-(6-hexyl-5-methyl-2H-pyridin-1-yl)-N,N-dimethylazetidin-3-amine.
What is the SMILES notation for 1-(6-hexyl-5-methyl-2H-pyridin-1-yl)-N,N-dimethylazetidin-3-amine?
The canonical SMILES for 1-(6-hexyl-5-methyl-2H-pyridin-1-yl)-N,N-dimethylazetidin-3-amine is CCCCCCC1=C(C)C=CCN1N1CC(N(C)C)C1.
What is the InChIKey of 1-(6-hexyl-5-methyl-2H-pyridin-1-yl)-N,N-dimethylazetidin-3-amine?
The InChIKey is OTMSQXNQJKXCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-5-6-7-8-11-17-15(2)10-9-12-20(17)19-13-16(14-19)18(3)4/h9-10,16H,5-8,11-14H2,1-4H3.
What are the key properties of 1-(6-hexyl-5-methyl-2H-pyridin-1-yl)-N,N-dimethylazetidin-3-amine?
1-(6-hexyl-5-methyl-2H-pyridin-1-yl)-N,N-dimethylazetidin-3-amine has a molecular weight of 277.46 g/mol, XLogP of 3.26, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-hexyl-5-methyl-2H-pyridin-1-yl)-N,N-dimethylazetidin-3-amine is sourced from PubChem (CID 90845625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).