N-(1-methoxyethyl)-1,4-dimethylcyclohepta-2,4,6-trien-1-amine

C12H19NO — CID 91122924

IUPACN-(1-methoxyethyl)-1,4-dimethylcyclohepta-2,4,6-trien-1-amine
SMILESCOC(C)NC1(C)C=CC=C(C)C=C1
InChIInChI=1S/C12H19NO/c1-10-6-5-8-12(3,9-7-10)13-11(2)14-4/h5-9,11,13H,1-4H3
InChIKeyNSOKMIBOSJOWHP-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.40
Rot. Bonds3

About N-(1-methoxyethyl)-1,4-dimethylcyclohepta-2,4,6-trien-1-amine

N-(1-methoxyethyl)-1,4-dimethylcyclohepta-2,4,6-trien-1-amine (PubChem CID 91122924) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is N-(1-methoxyethyl)-1,4-dimethylcyclohepta-2,4,6-trien-1-amine.

Molecular Properties

Compound NameN-(1-methoxyethyl)-1,4-dimethylcyclohepta-2,4,6-trien-1-amine
PubChem CID91122924
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC NameN-(1-methoxyethyl)-1,4-dimethylcyclohepta-2,4,6-trien-1-amine
SMILESCOC(C)NC1(C)C=CC=C(C)C=C1
InChIInChI=1S/C12H19NO/c1-10-6-5-8-12(3,9-7-10)13-11(2)14-4/h5-9,11,13H,1-4H3
InChIKeyNSOKMIBOSJOWHP-UHFFFAOYSA-N
XLogP2.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2E,3Z)-2-ethylidene-N-[(2R)-1-methoxypropan-2-yl]-5-methylhexa-3,5-dien-1-amine
CID 88268271
3-N-(1,4-dimethylcyclohepta-2,4,6-trien-1-yl)-2-N,2-N-dimethyloxirane-2,3-diamine
CID 91159247
1-[(1,4-Dimethylcyclohepta-2,4,6-trien-1-yl)amino]ethanol
CID 91503472
(Z)-N-(3-methoxypropyl)-2-methylidenehex-3-en-1-amine
CID 132175166
2-methoxy-5-methyl-2,7-dihydro-1H-azepine
CID 132199043
ethane;(Z,2E)-N-(3-ethoxypropyl)-2-ethylidenepent-3-en-1-amine
CID 141975366
(Z)-N-(1-methoxyethyl)-2-methylhex-3-en-2-amine
CID 163907496
(1E,4Z,6Z,8Z)-N-(1-methoxyethyl)cycloundeca-1,4,6,8,10-pentaen-1-amine
CID 164071498
(2Z)-2-ethyl-N-[(E)-3-methoxyprop-2-enyl]-4-methylpenta-2,4-dien-1-amine
CID 166850487
(E)-N-tert-butyl-5-methoxy-4-methylpent-2-en-1-amine
CID 116503531
(Z,2E)-N-(3-ethoxypropyl)-2-ethylidenepent-3-en-1-amine
CID 141975367
(2Z,4Z)-N-(2-ethoxyethyl)-4-methylocta-2,4,7-trien-1-amine
CID 142857865

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxyethyl)-1,4-dimethylcyclohepta-2,4,6-trien-1-amine?
The IUPAC name of N-(1-methoxyethyl)-1,4-dimethylcyclohepta-2,4,6-trien-1-amine (CID 91122924) is N-(1-methoxyethyl)-1,4-dimethylcyclohepta-2,4,6-trien-1-amine.
What is the SMILES notation for N-(1-methoxyethyl)-1,4-dimethylcyclohepta-2,4,6-trien-1-amine?
The canonical SMILES for N-(1-methoxyethyl)-1,4-dimethylcyclohepta-2,4,6-trien-1-amine is COC(C)NC1(C)C=CC=C(C)C=C1.
What is the InChIKey of N-(1-methoxyethyl)-1,4-dimethylcyclohepta-2,4,6-trien-1-amine?
The InChIKey is NSOKMIBOSJOWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-10-6-5-8-12(3,9-7-10)13-11(2)14-4/h5-9,11,13H,1-4H3.
What are the key properties of N-(1-methoxyethyl)-1,4-dimethylcyclohepta-2,4,6-trien-1-amine?
N-(1-methoxyethyl)-1,4-dimethylcyclohepta-2,4,6-trien-1-amine has a molecular weight of 193.29 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxyethyl)-1,4-dimethylcyclohepta-2,4,6-trien-1-amine is sourced from PubChem (CID 91122924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).