2,3-dihydro-1H-inden-4-amine;ethane;methylphosphane

C16H34NP — CID 143660749

IUPAC2,3-dihydro-1H-inden-4-amine;ethane;methylphosphane
SMILESCC.CC.CC.CP.Nc1cccc2c1CCC2
InChIInChI=1S/C9H11N.3C2H6.CH5P/c10-9-6-2-4-7-3-1-5-8(7)9;4*1-2/h2,4,6H,1,3,5,10H2;3*1-2H3;2H2,1H3
InChIKeyDIVDIPRSQNNYIC-UHFFFAOYSA-N
MW271.43 g/mol
LogP5.33
Rot. Bonds

About 2,3-dihydro-1H-inden-4-amine;ethane;methylphosphane

2,3-dihydro-1H-inden-4-amine;ethane;methylphosphane (PubChem CID 143660749) has the molecular formula C16H34NP and a molecular weight of 271.43 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-4-amine;ethane;methylphosphane.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-4-amine;ethane;methylphosphane
PubChem CID143660749
Molecular FormulaC16H34NP
Molecular Weight271.43 g/mol
Exact Mass271.24
IUPAC Name2,3-dihydro-1H-inden-4-amine;ethane;methylphosphane
SMILESCC.CC.CC.CP.Nc1cccc2c1CCC2
InChIInChI=1S/C9H11N.3C2H6.CH5P/c10-9-6-2-4-7-3-1-5-8(7)9;4*1-2/h2,4,6H,1,3,5,10H2;3*1-2H3;2H2,1H3
InChIKeyDIVDIPRSQNNYIC-UHFFFAOYSA-N
XLogP5.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.43
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydro-1H-inden-4-amine;N,N-dimethylmethanamine
CID 174754573
6-imino-7,8-dihydro-5H-naphthalen-1-amine
CID 57238586
2-methyl-3-(1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)aniline
CID 141108948
2,3-dihydro-1H-indene-4-carbothioamide
CID 151070386
5,6,7,8-tetrahydronaphthalene-1,6-diamine
CID 14836578
2-(2,3-dihydro-1H-inden-5-yl)-1,3-dihydroisoindol-4-amine
CID 43370098
cyclohexa-1,3-diene;7,8,9,10,11,12-hexahydrochrysen-1-amine
CID 175305298
2,3-dihydro-1H-indene-4-sulfonamide;hydrochloride
CID 143451550
1-(2,3-dihydro-1H-inden-4-yl)cyclobutan-1-amine
CID 117280910
4-(trifluoromethyl)-2,3-dihydro-1H-indene
CID 126626843
methyl(5,6,7,8-tetrahydronaphthalen-1-yl)phosphane
CID 170002803
5,6,7,8,9,10,11,12-octahydrobenzo[10]annulen-4-ol
CID 21151081

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-4-amine;ethane;methylphosphane?
The IUPAC name of 2,3-dihydro-1H-inden-4-amine;ethane;methylphosphane (CID 143660749) is 2,3-dihydro-1H-inden-4-amine;ethane;methylphosphane.
What is the SMILES notation for 2,3-dihydro-1H-inden-4-amine;ethane;methylphosphane?
The canonical SMILES for 2,3-dihydro-1H-inden-4-amine;ethane;methylphosphane is CC.CC.CC.CP.Nc1cccc2c1CCC2.
What is the InChIKey of 2,3-dihydro-1H-inden-4-amine;ethane;methylphosphane?
The InChIKey is DIVDIPRSQNNYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N.3C2H6.CH5P/c10-9-6-2-4-7-3-1-5-8(7)9;4*1-2/h2,4,6H,1,3,5,10H2;3*1-2H3;2H2,1H3.
What are the key properties of 2,3-dihydro-1H-inden-4-amine;ethane;methylphosphane?
2,3-dihydro-1H-inden-4-amine;ethane;methylphosphane has a molecular weight of 271.43 g/mol, XLogP of 5.33, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-4-amine;ethane;methylphosphane is sourced from PubChem (CID 143660749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).