N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-methylbut-2-en-1-amine

C16H23N — CID 106180416

IUPACN-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-methylbut-2-en-1-amine
SMILESCC(C)=CCNC(C)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H23N/c1-12(2)9-10-17-13(3)15-8-7-14-5-4-6-16(14)11-15/h7-9,11,13,17H,4-6,10H2,1-3H3
InChIKeyAJVWHQSHXZXWGG-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.79
Rot. Bonds4

About N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-methylbut-2-en-1-amine

N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-methylbut-2-en-1-amine (PubChem CID 106180416) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-methylbut-2-en-1-amine.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-methylbut-2-en-1-amine
PubChem CID106180416
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC NameN-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-methylbut-2-en-1-amine
SMILESCC(C)=CCNC(C)c1ccc2c(c1)CCC2
InChIInChI=1S/C16H23N/c1-12(2)9-10-17-13(3)15-8-7-14-5-4-6-16(14)11-15/h7-9,11,13,17H,4-6,10H2,1-3H3
InChIKeyAJVWHQSHXZXWGG-UHFFFAOYSA-N
XLogP3.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethanol
CID 43151079
3-methyl-1-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]butan-2-ol
CID 115720493
3-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]butan-1-ol
CID 81339451
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 43200388
2,3-dimethyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]butan-1-amine
CID 64568274
3-[(1S)-1-(3-methylbut-2-enylamino)ethyl]phenol
CID 122156905
N'-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]butane-1,4-diamine
CID 60893434
3-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanenitrile
CID 43207724
3-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]-2-hydroxypropanamide
CID 114153528
N-[(1R)-1-(3-chlorophenyl)ethyl]-3-methylbut-2-en-1-amine
CID 103578383
N-(cyclobutylmethyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 43298255
N-(2-cyclopentylethyl)-1-(2,3-dihydro-1H-inden-5-yl)ethanamine
CID 63450607

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-methylbut-2-en-1-amine?
The IUPAC name of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-methylbut-2-en-1-amine (CID 106180416) is N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-methylbut-2-en-1-amine.
What is the SMILES notation for N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-methylbut-2-en-1-amine?
The canonical SMILES for N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-methylbut-2-en-1-amine is CC(C)=CCNC(C)c1ccc2c(c1)CCC2.
What is the InChIKey of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-methylbut-2-en-1-amine?
The InChIKey is AJVWHQSHXZXWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-12(2)9-10-17-13(3)15-8-7-14-5-4-6-16(14)11-15/h7-9,11,13,17H,4-6,10H2,1-3H3.
What are the key properties of N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-methylbut-2-en-1-amine?
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-methylbut-2-en-1-amine has a molecular weight of 229.37 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-3-methylbut-2-en-1-amine is sourced from PubChem (CID 106180416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).