N-[2-(2-methylprop-2-enoxy)ethyl]cyclohex-2-en-1-amine

C12H21NO — CID 107908228

IUPACN-[2-(2-methylprop-2-enoxy)ethyl]cyclohex-2-en-1-amine
SMILESC=C(C)COCCNC1C=CCCC1
InChIInChI=1S/C12H21NO/c1-11(2)10-14-9-8-13-12-6-4-3-5-7-12/h4,6,12-13H,1,3,5,7-10H2,2H3
InChIKeyCCEJNQHNSJUNSZ-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.28
Rot. Bonds6

About N-[2-(2-methylprop-2-enoxy)ethyl]cyclohex-2-en-1-amine

N-[2-(2-methylprop-2-enoxy)ethyl]cyclohex-2-en-1-amine (PubChem CID 107908228) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-[2-(2-methylprop-2-enoxy)ethyl]cyclohex-2-en-1-amine.

Molecular Properties

Compound NameN-[2-(2-methylprop-2-enoxy)ethyl]cyclohex-2-en-1-amine
PubChem CID107908228
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-[2-(2-methylprop-2-enoxy)ethyl]cyclohex-2-en-1-amine
SMILESC=C(C)COCCNC1C=CCCC1
InChIInChI=1S/C12H21NO/c1-11(2)10-14-9-8-13-12-6-4-3-5-7-12/h4,6,12-13H,1,3,5,7-10H2,2H3
InChIKeyCCEJNQHNSJUNSZ-UHFFFAOYSA-N
XLogP2.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(2-methylprop-2-enoxy)ethyl]cyclohex-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethylene oxide.trans-2,6-dimethallyl-2,3,4,5,6-pentadeutero-1,2,3,6-tetrahydropyridine
CID 129879623
N-(cyclohexa-1,3-dien-1-ylmethyl)-2-methoxyethanamine
CID 89311458
N-(cyclohexen-1-ylmethyl)-2-methoxyethanamine
CID 89520652
(2R)-N-(2-methoxyethyl)-6-methylhept-5-en-2-amine
CID 121451095
4-[(Z,3E)-3-ethylidenehex-4-en-2-yl]-2-prop-1-en-2-ylmorpholin-4-ium
CID 144445855
2-N-iodo-1-N-[2-[(4-methylcyclohexa-1,4-dien-1-yl)methoxy]ethyl]hexane-1,2-diamine
CID 145571739
N-(2-methoxyethyl)-4-methylcyclohex-3-en-1-amine
CID 154694558
4-methyl-2-(4-methyl-3,6-dihydro-2H-pyran-6-yl)-1,2,3,6-tetrahydropyridine
CID 155432635
(2S,3S)-N,4-diethyl-2-methyl-3,6-dihydro-2H-pyran-3-amine;ethane
CID 177009350
ethane;N-(2-methoxyethyl)-4-methylcyclohex-3-en-1-amine
CID 177317151
N-(3-methylcyclohex-2-en-1-yl)oxetan-3-amine
CID 177317331
N-(2-methoxyethyl)-3-methylcyclohex-2-en-1-amine
CID 177317435

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]cyclohex-2-en-1-amine?
The IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]cyclohex-2-en-1-amine (CID 107908228) is N-[2-(2-methylprop-2-enoxy)ethyl]cyclohex-2-en-1-amine.
What is the SMILES notation for N-[2-(2-methylprop-2-enoxy)ethyl]cyclohex-2-en-1-amine?
The canonical SMILES for N-[2-(2-methylprop-2-enoxy)ethyl]cyclohex-2-en-1-amine is C=C(C)COCCNC1C=CCCC1.
What is the InChIKey of N-[2-(2-methylprop-2-enoxy)ethyl]cyclohex-2-en-1-amine?
The InChIKey is CCEJNQHNSJUNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-11(2)10-14-9-8-13-12-6-4-3-5-7-12/h4,6,12-13H,1,3,5,7-10H2,2H3.
What are the key properties of N-[2-(2-methylprop-2-enoxy)ethyl]cyclohex-2-en-1-amine?
N-[2-(2-methylprop-2-enoxy)ethyl]cyclohex-2-en-1-amine has a molecular weight of 195.31 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylprop-2-enoxy)ethyl]cyclohex-2-en-1-amine is sourced from PubChem (CID 107908228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).