N-cyclohex-3-en-1-yl-6-methoxy-2,3-dihydro-1H-inden-1-amine

C16H21NO — CID 79367336

IUPACN-cyclohex-3-en-1-yl-6-methoxy-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc2c(c1)C(NC1CC=CCC1)CC2
InChIInChI=1S/C16H21NO/c1-18-14-9-7-12-8-10-16(15(12)11-14)17-13-5-3-2-4-6-13/h2-3,7,9,11,13,16-17H,4-6,8,10H2,1H3
InChIKeyCJYYTXKJMJOUPZ-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.38
Rot. Bonds3

About N-cyclohex-3-en-1-yl-6-methoxy-2,3-dihydro-1H-inden-1-amine

N-cyclohex-3-en-1-yl-6-methoxy-2,3-dihydro-1H-inden-1-amine (PubChem CID 79367336) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is N-cyclohex-3-en-1-yl-6-methoxy-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-cyclohex-3-en-1-yl-6-methoxy-2,3-dihydro-1H-inden-1-amine
PubChem CID79367336
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC NameN-cyclohex-3-en-1-yl-6-methoxy-2,3-dihydro-1H-inden-1-amine
SMILESCOc1ccc2c(c1)C(NC1CC=CCC1)CC2
InChIInChI=1S/C16H21NO/c1-18-14-9-7-12-8-10-16(15(12)11-14)17-13-5-3-2-4-6-13/h2-3,7,9,11,13,16-17H,4-6,8,10H2,1H3
InChIKeyCJYYTXKJMJOUPZ-UHFFFAOYSA-N
XLogP3.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79366110
6-methoxy-N-(3-methoxycyclobutyl)-2,3-dihydro-1H-inden-1-amine
CID 104584581
6-methoxy-N-(3-methoxycyclopentyl)-2,3-dihydro-1H-inden-1-amine
CID 103082978
N-(2,3-dihydro-1H-inden-1-yl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79369352
N-cyclobutyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79239587
6-methoxy-N-(2,2,3,3-tetramethylcyclopropyl)-2,3-dihydro-1H-inden-1-amine
CID 79374307
N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-1,1-dioxothiolan-3-amine
CID 79366111
N-cyclohexyl-7-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79239408
6-methoxy-N-(2-methoxycyclopentyl)-2,3-dihydro-1H-inden-1-amine
CID 79367052
N-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
CID 79366146
(2R)-2-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol
CID 114986964
N-(1-cyclobutylethyl)-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 113349188

Frequently Asked Questions

What is the IUPAC name of N-cyclohex-3-en-1-yl-6-methoxy-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-cyclohex-3-en-1-yl-6-methoxy-2,3-dihydro-1H-inden-1-amine (CID 79367336) is N-cyclohex-3-en-1-yl-6-methoxy-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-cyclohex-3-en-1-yl-6-methoxy-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-cyclohex-3-en-1-yl-6-methoxy-2,3-dihydro-1H-inden-1-amine is COc1ccc2c(c1)C(NC1CC=CCC1)CC2.
What is the InChIKey of N-cyclohex-3-en-1-yl-6-methoxy-2,3-dihydro-1H-inden-1-amine?
The InChIKey is CJYYTXKJMJOUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-18-14-9-7-12-8-10-16(15(12)11-14)17-13-5-3-2-4-6-13/h2-3,7,9,11,13,16-17H,4-6,8,10H2,1H3.
What are the key properties of N-cyclohex-3-en-1-yl-6-methoxy-2,3-dihydro-1H-inden-1-amine?
N-cyclohex-3-en-1-yl-6-methoxy-2,3-dihydro-1H-inden-1-amine has a molecular weight of 243.35 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-3-en-1-yl-6-methoxy-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 79367336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).