3-methyl-1-prop-2-enyl-2,3-dihydroinden-1-amine

C13H17N — CID 75162996

IUPAC3-methyl-1-prop-2-enyl-2,3-dihydroinden-1-amine
SMILESC=CCC1(N)CC(C)c2ccccc21
InChIInChI=1S/C13H17N/c1-3-8-13(14)9-10(2)11-6-4-5-7-12(11)13/h3-7,10H,1,8-9,14H2,2H3
InChIKeyIEBBVOVLAJAXAK-UHFFFAOYSA-N
MW187.29 g/mol
LogP2.92
Rot. Bonds2

About 3-methyl-1-prop-2-enyl-2,3-dihydroinden-1-amine

3-methyl-1-prop-2-enyl-2,3-dihydroinden-1-amine (PubChem CID 75162996) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 3-methyl-1-prop-2-enyl-2,3-dihydroinden-1-amine.

Molecular Properties

Compound Name3-methyl-1-prop-2-enyl-2,3-dihydroinden-1-amine
PubChem CID75162996
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name3-methyl-1-prop-2-enyl-2,3-dihydroinden-1-amine
SMILESC=CCC1(N)CC(C)c2ccccc21
InChIInChI=1S/C13H17N/c1-3-8-13(14)9-10(2)11-6-4-5-7-12(11)13/h3-7,10H,1,8-9,14H2,2H3
InChIKeyIEBBVOVLAJAXAK-UHFFFAOYSA-N
XLogP2.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.92
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

1-hexyl-4-methyl-3,4-dihydro-2H-naphthalen-1-amine
CID 115419755
1-amino-3-methyl-2,3-dihydroindene-1-carbonitrile
CID 130570305
1-(3-ethylsulfonylpropyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-amine
CID 115419809
4-methyl-1-(pyridin-2-ylmethyl)-3,4-dihydro-2H-naphthalen-1-amine
CID 115419894
1-[(2-methoxyphenyl)methyl]-4-methyl-3,4-dihydro-2H-naphthalen-1-amine
CID 115419799
1-ethenyl-1-ethyl-4-methyl-3,4-dihydroisochromene
CID 143948279
2-N,2-N-diethyl-1-prop-2-enyl-2,3-dihydroindene-1,2-diamine
CID 43831011
1-methoxy-3-methyl-2,3-dihydroindene-1-carbonitrile
CID 130570389
4-(1,3-dimethyl-2,3-dihydroinden-1-yl)butan-2-one
CID 142902454
1-(aminomethyl)-4-methyl-3,4-dihydro-2H-naphthalen-1-ol
CID 115419502
3-methyl-3-prop-2-enyl-1,2-dihydroindene
CID 85427456
ethyl 2-(1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2,4,6,9,11,13-hexaenyl)acetate
CID 12507120

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-prop-2-enyl-2,3-dihydroinden-1-amine?
The IUPAC name of 3-methyl-1-prop-2-enyl-2,3-dihydroinden-1-amine (CID 75162996) is 3-methyl-1-prop-2-enyl-2,3-dihydroinden-1-amine.
What is the SMILES notation for 3-methyl-1-prop-2-enyl-2,3-dihydroinden-1-amine?
The canonical SMILES for 3-methyl-1-prop-2-enyl-2,3-dihydroinden-1-amine is C=CCC1(N)CC(C)c2ccccc21.
What is the InChIKey of 3-methyl-1-prop-2-enyl-2,3-dihydroinden-1-amine?
The InChIKey is IEBBVOVLAJAXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-3-8-13(14)9-10(2)11-6-4-5-7-12(11)13/h3-7,10H,1,8-9,14H2,2H3.
What are the key properties of 3-methyl-1-prop-2-enyl-2,3-dihydroinden-1-amine?
3-methyl-1-prop-2-enyl-2,3-dihydroinden-1-amine has a molecular weight of 187.29 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-prop-2-enyl-2,3-dihydroinden-1-amine is sourced from PubChem (CID 75162996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).