(E)-N-(2,3-dihydro-1H-inden-5-ylmethyl)pent-3-en-1-amine

C15H21N — CID 115660114

IUPAC(E)-N-(2,3-dihydro-1H-inden-5-ylmethyl)pent-3-en-1-amine
SMILESC/C=C/CCNCc1ccc2c(c1)CCC2
InChIInChI=1S/C15H21N/c1-2-3-4-10-16-12-13-8-9-14-6-5-7-15(14)11-13/h2-3,8-9,11,16H,4-7,10,12H2,1H3/b3-2+
InChIKeyOZMYGBZTUUDGGH-NSCUHMNNSA-N
MW215.34 g/mol
LogP3.23
Rot. Bonds5

About (E)-N-(2,3-dihydro-1H-inden-5-ylmethyl)pent-3-en-1-amine

(E)-N-(2,3-dihydro-1H-inden-5-ylmethyl)pent-3-en-1-amine (PubChem CID 115660114) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is (E)-N-(2,3-dihydro-1H-inden-5-ylmethyl)pent-3-en-1-amine.

Molecular Properties

Compound Name(E)-N-(2,3-dihydro-1H-inden-5-ylmethyl)pent-3-en-1-amine
PubChem CID115660114
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name(E)-N-(2,3-dihydro-1H-inden-5-ylmethyl)pent-3-en-1-amine
SMILESC/C=C/CCNCc1ccc2c(c1)CCC2
InChIInChI=1S/C15H21N/c1-2-3-4-10-16-12-13-8-9-14-6-5-7-15(14)11-13/h2-3,8-9,11,16H,4-7,10,12H2,1H3/b3-2+
InChIKeyOZMYGBZTUUDGGH-NSCUHMNNSA-N
XLogP3.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dihydro-1H-inden-5-ylmethyl)propan-1-amine
CID 43163737
N-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)ethane-1,2-diamine
CID 115195816
3-(2,3-dihydro-1H-inden-5-ylmethylamino)propane-1-thiol
CID 115224838
4-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)butan-1-amine
CID 106844899
2-but-3-enoxy-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine
CID 103854378
5-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)pentan-1-amine
CID 107319955
(E)-N-[(4-methoxyphenyl)methyl]pent-3-en-1-amine
CID 115629053
N,N-dimethyl-4-[[[(E)-pent-3-enyl]amino]methyl]aniline
CID 115629178
N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-(2,2-dimethylcyclopropyl)methanamine
CID 113244920
N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-propoxypropan-1-amine
CID 82943032
2-(2-chloroethoxy)-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine
CID 65024077
5-(2,3-dihydro-1H-inden-5-yl)-N-propan-2-ylpent-3-en-1-amine
CID 79591857

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,3-dihydro-1H-inden-5-ylmethyl)pent-3-en-1-amine?
The IUPAC name of (E)-N-(2,3-dihydro-1H-inden-5-ylmethyl)pent-3-en-1-amine (CID 115660114) is (E)-N-(2,3-dihydro-1H-inden-5-ylmethyl)pent-3-en-1-amine.
What is the SMILES notation for (E)-N-(2,3-dihydro-1H-inden-5-ylmethyl)pent-3-en-1-amine?
The canonical SMILES for (E)-N-(2,3-dihydro-1H-inden-5-ylmethyl)pent-3-en-1-amine is C/C=C/CCNCc1ccc2c(c1)CCC2.
What is the InChIKey of (E)-N-(2,3-dihydro-1H-inden-5-ylmethyl)pent-3-en-1-amine?
The InChIKey is OZMYGBZTUUDGGH-NSCUHMNNSA-N. The full InChI is InChI=1S/C15H21N/c1-2-3-4-10-16-12-13-8-9-14-6-5-7-15(14)11-13/h2-3,8-9,11,16H,4-7,10,12H2,1H3/b3-2+.
What are the key properties of (E)-N-(2,3-dihydro-1H-inden-5-ylmethyl)pent-3-en-1-amine?
(E)-N-(2,3-dihydro-1H-inden-5-ylmethyl)pent-3-en-1-amine has a molecular weight of 215.34 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,3-dihydro-1H-inden-5-ylmethyl)pent-3-en-1-amine is sourced from PubChem (CID 115660114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).