1-(2,3-dihydro-1H-inden-1-yl)undecan-1-amine

C20H33N — CID 65403955

IUPAC1-(2,3-dihydro-1H-inden-1-yl)undecan-1-amine
SMILESCCCCCCCCCCC(N)C1CCc2ccccc21
InChIInChI=1S/C20H33N/c1-2-3-4-5-6-7-8-9-14-20(21)19-16-15-17-12-10-11-13-18(17)19/h10-13,19-20H,2-9,14-16,21H2,1H3
InChIKeyHBEPDPGSEGGXJW-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.57
Rot. Bonds10

About 1-(2,3-dihydro-1H-inden-1-yl)undecan-1-amine

1-(2,3-dihydro-1H-inden-1-yl)undecan-1-amine (PubChem CID 65403955) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-1-yl)undecan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-1-yl)undecan-1-amine
PubChem CID65403955
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC Name1-(2,3-dihydro-1H-inden-1-yl)undecan-1-amine
SMILESCCCCCCCCCCC(N)C1CCc2ccccc21
InChIInChI=1S/C20H33N/c1-2-3-4-5-6-7-8-9-14-20(21)19-16-15-17-12-10-11-13-18(17)19/h10-13,19-20H,2-9,14-16,21H2,1H3
InChIKeyHBEPDPGSEGGXJW-UHFFFAOYSA-N
XLogP5.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(1,2,3,4-tetrahydronaphthalen-1-yl)decan-1-amine
CID 63418547
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)nonan-1-amine
CID 115835676
1-(2,3-dihydro-1H-inden-1-yl)hex-5-en-1-amine
CID 65405517
1-icosan-8-yl-1,2,3,4-tetrahydronaphthalene
CID 175494887
1-(3,4-dihydro-1H-isochromen-1-yl)heptan-1-amine
CID 105125796
5-(2,3-dihydro-1H-inden-1-yl)-N,N-diethyldecan-1-amine
CID 174824376
5-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pentan-1-amine
CID 112754245
(1R)-1-hexadecyl-2,3-dihydro-1H-indene
CID 98094176
2-cyclopropyl-1-(2,3-dihydro-1H-inden-1-yl)ethanamine
CID 65403573
1-(2,3-dihydro-1-benzothiophen-3-yl)heptan-1-amine
CID 105126135
1-(2,3-dihydro-1H-inden-1-yl)ethanamine
CID 23332534
1-(2,3-dihydro-1H-inden-1-yl)-2-phenylethanamine
CID 65405904

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)undecan-1-amine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)undecan-1-amine (CID 65403955) is 1-(2,3-dihydro-1H-inden-1-yl)undecan-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-1-yl)undecan-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-1-yl)undecan-1-amine is CCCCCCCCCCC(N)C1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-1-yl)undecan-1-amine?
The InChIKey is HBEPDPGSEGGXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-2-3-4-5-6-7-8-9-14-20(21)19-16-15-17-12-10-11-13-18(17)19/h10-13,19-20H,2-9,14-16,21H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-1-yl)undecan-1-amine?
1-(2,3-dihydro-1H-inden-1-yl)undecan-1-amine has a molecular weight of 287.49 g/mol, XLogP of 5.57, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-1-yl)undecan-1-amine is sourced from PubChem (CID 65403955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).