1-N-[2-(cyclopenten-1-yl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine

C16H22N2 — CID 114153405

IUPAC1-N-[2-(cyclopenten-1-yl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine
SMILESNc1ccc2c(c1)CCC2NCCC1=CCCC1
InChIInChI=1S/C16H22N2/c17-14-6-7-15-13(11-14)5-8-16(15)18-10-9-12-3-1-2-4-12/h3,6-7,11,16,18H,1-2,4-5,8-10,17H2
InChIKeySQBDYOKQYWLRNE-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.35
Rot. Bonds4

About 1-N-[2-(cyclopenten-1-yl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine

1-N-[2-(cyclopenten-1-yl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine (PubChem CID 114153405) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 1-N-[2-(cyclopenten-1-yl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine.

Molecular Properties

Compound Name1-N-[2-(cyclopenten-1-yl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine
PubChem CID114153405
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name1-N-[2-(cyclopenten-1-yl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine
SMILESNc1ccc2c(c1)CCC2NCCC1=CCCC1
InChIInChI=1S/C16H22N2/c17-14-6-7-15-13(11-14)5-8-16(15)18-10-9-12-3-1-2-4-12/h3,6-7,11,16,18H,1-2,4-5,8-10,17H2
InChIKeySQBDYOKQYWLRNE-UHFFFAOYSA-N
XLogP3.35
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclopenten-1-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 113349085
1-N-[2-(4-chlorophenyl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 79725130
N-[2-(cyclopenten-1-yl)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 106169705
1-N-(2-thiophen-3-ylethyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79741216
8-[2-(cyclopenten-1-yl)ethylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 106169248
1-N-(3-cyclohexyloxypropyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79737097
1-N-(3-ethenoxypropyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79724299
1-N-[2-(1-methylpiperidin-4-yl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 114515233
1-[2-(cyclohexen-1-yl)ethylamino]-2,3-dihydro-1H-inden-4-ol
CID 43637028
2-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]acetamide
CID 79735729
N-[2-(cyclopenten-1-yl)ethyl]-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106170157
1-N-(3-propan-2-yloxypropyl)-2,3-dihydro-1H-indene-1,5-diamine
CID 79724759

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(cyclopenten-1-yl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine?
The IUPAC name of 1-N-[2-(cyclopenten-1-yl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine (CID 114153405) is 1-N-[2-(cyclopenten-1-yl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine.
What is the SMILES notation for 1-N-[2-(cyclopenten-1-yl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine?
The canonical SMILES for 1-N-[2-(cyclopenten-1-yl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine is Nc1ccc2c(c1)CCC2NCCC1=CCCC1.
What is the InChIKey of 1-N-[2-(cyclopenten-1-yl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine?
The InChIKey is SQBDYOKQYWLRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c17-14-6-7-15-13(11-14)5-8-16(15)18-10-9-12-3-1-2-4-12/h3,6-7,11,16,18H,1-2,4-5,8-10,17H2.
What are the key properties of 1-N-[2-(cyclopenten-1-yl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine?
1-N-[2-(cyclopenten-1-yl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine has a molecular weight of 242.37 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(cyclopenten-1-yl)ethyl]-2,3-dihydro-1H-indene-1,5-diamine is sourced from PubChem (CID 114153405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).