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

C16H21N — CID 113349085

IUPACN-[2-(cyclopenten-1-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESC1=C(CCNC2CCc3ccccc32)CCC1
InChIInChI=1S/C16H21N/c1-2-6-13(5-1)11-12-17-16-10-9-14-7-3-4-8-15(14)16/h3-5,7-8,16-17H,1-2,6,9-12H2
InChIKeyGXEFMMPTORJMEF-UHFFFAOYSA-N
MW227.35 g/mol
LogP3.76
Rot. Bonds4

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

N-[2-(cyclopenten-1-yl)ethyl]-2,3-dihydro-1H-inden-1-amine (PubChem CID 113349085) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is N-[2-(cyclopenten-1-yl)ethyl]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-[2-(cyclopenten-1-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
PubChem CID113349085
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC NameN-[2-(cyclopenten-1-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
SMILESC1=C(CCNC2CCc3ccccc32)CCC1
InChIInChI=1S/C16H21N/c1-2-6-13(5-1)11-12-17-16-10-9-14-7-3-4-8-15(14)16/h3-5,7-8,16-17H,1-2,6,9-12H2
InChIKeyGXEFMMPTORJMEF-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.76
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

N-[2-(cyclopenten-1-yl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 106169705
1-N-[2-(cyclopenten-1-yl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 114153405
N-[2-(cyclopenten-1-yl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106170157
8-[2-(cyclopenten-1-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 106169248
1-[2-(cyclohexen-1-yl)ethylamino]-2,3-dihydro-1H-inden-4-ol
CID 43637028
3-(2,3-dihydro-1H-inden-1-ylamino)propanoic acid
CID 43088449
N-but-3-ynyl-2,3-dihydro-1H-inden-1-amine
CID 63656053
3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoic acid
CID 43087276
N-[2-(cyclohexen-1-yl)ethyl]-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 82821906
N-(cyclopentylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 43370878
N-[2-(cyclohexen-1-yl)ethyl]-9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43766388
N-[2-(2-nitrophenyl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 63062965

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-2,3-dihydro-1H-inden-1-amine (CID 113349085) is N-[2-(cyclopenten-1-yl)ethyl]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[2-(cyclopenten-1-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[2-(cyclopenten-1-yl)ethyl]-2,3-dihydro-1H-inden-1-amine is C1=C(CCNC2CCc3ccccc32)CCC1.
What is the InChIKey of N-[2-(cyclopenten-1-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is GXEFMMPTORJMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N/c1-2-6-13(5-1)11-12-17-16-10-9-14-7-3-4-8-15(14)16/h3-5,7-8,16-17H,1-2,6,9-12H2.
What are the key properties of N-[2-(cyclopenten-1-yl)ethyl]-2,3-dihydro-1H-inden-1-amine?
N-[2-(cyclopenten-1-yl)ethyl]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 227.35 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopenten-1-yl)ethyl]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 113349085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).