N'-(2,3,4,7-tetrahydro-1H-inden-1-yl)ethane-1,2-diamine

C11H18N2 — CID 57169851

IUPACN'-(2,3,4,7-tetrahydro-1H-inden-1-yl)ethane-1,2-diamine
SMILESNCCNC1CCC2=C1CC=CC2
InChIInChI=1S/C11H18N2/c12-7-8-13-11-6-5-9-3-1-2-4-10(9)11/h1-2,11,13H,3-8,12H2
InChIKeyFRFXHPZIEWBDMV-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.34
Rot. Bonds3

About N'-(2,3,4,7-tetrahydro-1H-inden-1-yl)ethane-1,2-diamine

N'-(2,3,4,7-tetrahydro-1H-inden-1-yl)ethane-1,2-diamine (PubChem CID 57169851) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is N'-(2,3,4,7-tetrahydro-1H-inden-1-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,3,4,7-tetrahydro-1H-inden-1-yl)ethane-1,2-diamine
PubChem CID57169851
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC NameN'-(2,3,4,7-tetrahydro-1H-inden-1-yl)ethane-1,2-diamine
SMILESNCCNC1CCC2=C1CC=CC2
InChIInChI=1S/C11H18N2/c12-7-8-13-11-6-5-9-3-1-2-4-10(9)11/h1-2,11,13H,3-8,12H2
InChIKeyFRFXHPZIEWBDMV-UHFFFAOYSA-N
XLogP1.34
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cis-(1R,2R,3Z)-1-N-butyl-2-N-hexyl-3-tetradecylidenecyclohexane-1,2-diamine
CID 44446343
6-Hexyl-1,2,3,6-tetrahydropyridine
CID 357837
trans-2-Allyl-6-hexyl-1,2,3,6-tetrahydropyridine
CID 10987473
cis-2-Allyl-6-hexyl-1,2,3,6-tetrahydropyridine
CID 21606415
1-(1-Cyclohexen-1-ylmethyl)pyrrolidine-2-methylamine
CID 3018317
cis-2-Allyl-6-hexyl-1,2,5,6-tetrahydropyridine
CID 129798509
trans-6-Allyl-2-(hex-5-enyl)-4-methyl-1,2,3,6-tetrahydropyridine
CID 129879949
11-Methyl-13-azabicyclo[7.3.1]trideca-3,10-diene
CID 129879974
N-(cyclohexen-1-ylmethyl)-1-pyrrolidin-2-ylmethanamine
CID 11970593
2-cyclohexylidene-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 11971345
N~1~-[2-(Cyclohex-1-en-1-yl)ethyl]-N~2~-pentylethane-1,2-diamine
CID 16076419
2-Piperidin-2-yl-1,2,3,6-tetrahydropyridine
CID 4866678

Frequently Asked Questions

What is the IUPAC name of N'-(2,3,4,7-tetrahydro-1H-inden-1-yl)ethane-1,2-diamine?
The IUPAC name of N'-(2,3,4,7-tetrahydro-1H-inden-1-yl)ethane-1,2-diamine (CID 57169851) is N'-(2,3,4,7-tetrahydro-1H-inden-1-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2,3,4,7-tetrahydro-1H-inden-1-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(2,3,4,7-tetrahydro-1H-inden-1-yl)ethane-1,2-diamine is NCCNC1CCC2=C1CC=CC2.
What is the InChIKey of N'-(2,3,4,7-tetrahydro-1H-inden-1-yl)ethane-1,2-diamine?
The InChIKey is FRFXHPZIEWBDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c12-7-8-13-11-6-5-9-3-1-2-4-10(9)11/h1-2,11,13H,3-8,12H2.
What are the key properties of N'-(2,3,4,7-tetrahydro-1H-inden-1-yl)ethane-1,2-diamine?
N'-(2,3,4,7-tetrahydro-1H-inden-1-yl)ethane-1,2-diamine has a molecular weight of 178.28 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3,4,7-tetrahydro-1H-inden-1-yl)ethane-1,2-diamine is sourced from PubChem (CID 57169851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).