(1S)-7-ethyl-6-methyl-2,3-dihydro-1H-inden-1-amine

C12H17N — CID 130691961

IUPAC(1S)-7-ethyl-6-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCCc1c(C)ccc2c1[C@@H](N)CC2
InChIInChI=1S/C12H17N/c1-3-10-8(2)4-5-9-6-7-11(13)12(9)10/h4-5,11H,3,6-7,13H2,1-2H3/t11-/m0/s1
InChIKeyKRKRUWHREMUDLJ-NSHDSACASA-N
MW175.27 g/mol
LogP2.50
Rot. Bonds1

About (1S)-7-ethyl-6-methyl-2,3-dihydro-1H-inden-1-amine

(1S)-7-ethyl-6-methyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 130691961) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is (1S)-7-ethyl-6-methyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1S)-7-ethyl-6-methyl-2,3-dihydro-1H-inden-1-amine
PubChem CID130691961
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name(1S)-7-ethyl-6-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCCc1c(C)ccc2c1[C@@H](N)CC2
InChIInChI=1S/C12H17N/c1-3-10-8(2)4-5-9-6-7-11(13)12(9)10/h4-5,11H,3,6-7,13H2,1-2H3/t11-/m0/s1
InChIKeyKRKRUWHREMUDLJ-NSHDSACASA-N
XLogP2.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-6-methyl-2,3-dihydro-1H-indene-1,7-diamine
CID 130682325
(1R,8R)-1,2,3,6,7,8-hexahydro-as-indacene-1,8-diamine
CID 66733867
1,2,3,6,7,8-hexahydro-as-indacene-1,8-diamine
CID 77181867
(1S)-6-methyl-7-nitro-2,3-dihydro-1H-inden-1-amine
CID 130969806
(1S)-8-chloro-7-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 130648464
1-(3-amino-2,3-dihydro-1H-inden-4-yl)propan-1-one
CID 57180230
(1R)-6-ethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 131884185
5-chloro-7-methyl-2,3-dihydro-1H-inden-1-amine
CID 91618885
(1S)-5-fluoro-7-methyl-2,3-dihydro-1H-inden-1-amine
CID 130739092
(1S)-7-bromo-6-fluoro-2,3-dihydro-1H-inden-1-amine
CID 130713599
7-ethyl-6-methyl-2,3-dihydroinden-1-one
CID 55297310
3-amino-2,3-dihydro-1H-inden-4-ol
CID 13376843

Frequently Asked Questions

What is the IUPAC name of (1S)-7-ethyl-6-methyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1S)-7-ethyl-6-methyl-2,3-dihydro-1H-inden-1-amine (CID 130691961) is (1S)-7-ethyl-6-methyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1S)-7-ethyl-6-methyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1S)-7-ethyl-6-methyl-2,3-dihydro-1H-inden-1-amine is CCc1c(C)ccc2c1[C@@H](N)CC2.
What is the InChIKey of (1S)-7-ethyl-6-methyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is KRKRUWHREMUDLJ-NSHDSACASA-N. The full InChI is InChI=1S/C12H17N/c1-3-10-8(2)4-5-9-6-7-11(13)12(9)10/h4-5,11H,3,6-7,13H2,1-2H3/t11-/m0/s1.
What are the key properties of (1S)-7-ethyl-6-methyl-2,3-dihydro-1H-inden-1-amine?
(1S)-7-ethyl-6-methyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 175.27 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-7-ethyl-6-methyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 130691961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).