N-methyl-4-(3-methylbut-3-enoxy)-2,3-dihydro-1H-inden-1-amine

C15H21NO — CID 114471642

IUPACN-methyl-4-(3-methylbut-3-enoxy)-2,3-dihydro-1H-inden-1-amine
SMILESC=C(C)CCOc1cccc2c1CCC2NC
InChIInChI=1S/C15H21NO/c1-11(2)9-10-17-15-6-4-5-12-13(15)7-8-14(12)16-3/h4-6,14,16H,1,7-10H2,2-3H3
InChIKeyYMGDXSBHFITYBI-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.24
Rot. Bonds5

About N-methyl-4-(3-methylbut-3-enoxy)-2,3-dihydro-1H-inden-1-amine

N-methyl-4-(3-methylbut-3-enoxy)-2,3-dihydro-1H-inden-1-amine (PubChem CID 114471642) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-methyl-4-(3-methylbut-3-enoxy)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-methyl-4-(3-methylbut-3-enoxy)-2,3-dihydro-1H-inden-1-amine
PubChem CID114471642
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-methyl-4-(3-methylbut-3-enoxy)-2,3-dihydro-1H-inden-1-amine
SMILESC=C(C)CCOc1cccc2c1CCC2NC
InChIInChI=1S/C15H21NO/c1-11(2)9-10-17-15-6-4-5-12-13(15)7-8-14(12)16-3/h4-6,14,16H,1,7-10H2,2-3H3
InChIKeyYMGDXSBHFITYBI-UHFFFAOYSA-N
XLogP3.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.24
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

4-(2-methoxyethoxy)-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 63090830
N-ethyl-3-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]propanamide
CID 63091539
2-methyl-4-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]butan-2-ol
CID 79360871
N-methyl-4-(2-phenoxyethoxy)-2,3-dihydro-1H-inden-1-amine
CID 63091176
4-(3-ethoxypropoxy)-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 65175864
4-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]butan-1-ol
CID 65456677
5-butoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65455547
N-methyl-4-[3-(oxolan-2-yl)propoxy]-2,3-dihydro-1H-inden-1-amine
CID 65158985
4-[(3,5-dimethylphenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 63089768
N-methyl-4-[2-(1-methylpiperidin-2-yl)ethoxy]-2,3-dihydro-1H-inden-1-amine
CID 107911088
5-(methoxymethoxy)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65455743
4-[(3-bromophenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 63091001

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(3-methylbut-3-enoxy)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-methyl-4-(3-methylbut-3-enoxy)-2,3-dihydro-1H-inden-1-amine (CID 114471642) is N-methyl-4-(3-methylbut-3-enoxy)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-methyl-4-(3-methylbut-3-enoxy)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-methyl-4-(3-methylbut-3-enoxy)-2,3-dihydro-1H-inden-1-amine is C=C(C)CCOc1cccc2c1CCC2NC.
What is the InChIKey of N-methyl-4-(3-methylbut-3-enoxy)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is YMGDXSBHFITYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-11(2)9-10-17-15-6-4-5-12-13(15)7-8-14(12)16-3/h4-6,14,16H,1,7-10H2,2-3H3.
What are the key properties of N-methyl-4-(3-methylbut-3-enoxy)-2,3-dihydro-1H-inden-1-amine?
N-methyl-4-(3-methylbut-3-enoxy)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 231.34 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(3-methylbut-3-enoxy)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 114471642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).