(1S,2S)-2,6-dimethyl-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine

C14H19N — CID 101384665

IUPAC(1S,2S)-2,6-dimethyl-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine
SMILESC=CCN[C@@H]1c2cc(C)ccc2C[C@@H]1C
InChIInChI=1S/C14H19N/c1-4-7-15-14-11(3)9-12-6-5-10(2)8-13(12)14/h4-6,8,11,14-15H,1,7,9H2,2-3H3/t11-,14-/m0/s1
InChIKeyCEULXQBXNUAMGR-FZMZJTMJSA-N
MW201.31 g/mol
LogP3.00
Rot. Bonds3

About (1S,2S)-2,6-dimethyl-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine

(1S,2S)-2,6-dimethyl-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 101384665) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is (1S,2S)-2,6-dimethyl-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1S,2S)-2,6-dimethyl-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine
PubChem CID101384665
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name(1S,2S)-2,6-dimethyl-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine
SMILESC=CCN[C@@H]1c2cc(C)ccc2C[C@@H]1C
InChIInChI=1S/C14H19N/c1-4-7-15-14-11(3)9-12-6-5-10(2)8-13(12)14/h4-6,8,11,14-15H,1,7,9H2,2-3H3/t11-,14-/m0/s1
InChIKeyCEULXQBXNUAMGR-FZMZJTMJSA-N
XLogP3.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.00
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

(2R)-1-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol
CID 103949520
(1R,2S)-N-(1-fluoroethyl)-2,6-dimethyl-2,3-dihydro-1H-inden-1-amine
CID 173049230
(1R,2R)-2,6-dimethyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 99819688
(1S,2R)-2,6-dimethyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 99819689
4-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]-4-oxobutanoic acid
CID 120552413
1-(cyclopropylmethoxy)-3-[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol
CID 110010370
2,6-dimethyl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 91647175
4-[[(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)amino]methyl]oxane-4-carboxamide
CID 86784014
(2R)-1-[[(1R,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]amino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 129412226
(1R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-amine
CID 130738908
1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-[(1-hydroxycyclobutyl)methyl]urea
CID 110024695
1-(2,6-dimethyl-2,3-dihydro-1H-inden-1-yl)-3-(4-hydroxy-2-methylpentyl)urea
CID 110024645

Frequently Asked Questions

What is the IUPAC name of (1S,2S)-2,6-dimethyl-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1S,2S)-2,6-dimethyl-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine (CID 101384665) is (1S,2S)-2,6-dimethyl-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1S,2S)-2,6-dimethyl-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1S,2S)-2,6-dimethyl-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine is C=CCN[C@@H]1c2cc(C)ccc2C[C@@H]1C.
What is the InChIKey of (1S,2S)-2,6-dimethyl-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is CEULXQBXNUAMGR-FZMZJTMJSA-N. The full InChI is InChI=1S/C14H19N/c1-4-7-15-14-11(3)9-12-6-5-10(2)8-13(12)14/h4-6,8,11,14-15H,1,7,9H2,2-3H3/t11-,14-/m0/s1.
What are the key properties of (1S,2S)-2,6-dimethyl-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine?
(1S,2S)-2,6-dimethyl-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 201.31 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2,6-dimethyl-N-prop-2-enyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 101384665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).