(2-decyl-1,3-dihydroinden-2-yl)methanamine

C20H33N — CID 65406549

IUPAC(2-decyl-1,3-dihydroinden-2-yl)methanamine
SMILESCCCCCCCCCCC1(CN)Cc2ccccc2C1
InChIInChI=1S/C20H33N/c1-2-3-4-5-6-7-8-11-14-20(17-21)15-18-12-9-10-13-19(18)16-20/h9-10,12-13H,2-8,11,14-17,21H2,1H3
InChIKeyUSTZXPWQTMSTKM-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.26
Rot. Bonds10

About (2-decyl-1,3-dihydroinden-2-yl)methanamine

(2-decyl-1,3-dihydroinden-2-yl)methanamine (PubChem CID 65406549) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is (2-decyl-1,3-dihydroinden-2-yl)methanamine.

Molecular Properties

Compound Name(2-decyl-1,3-dihydroinden-2-yl)methanamine
PubChem CID65406549
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC Name(2-decyl-1,3-dihydroinden-2-yl)methanamine
SMILESCCCCCCCCCCC1(CN)Cc2ccccc2C1
InChIInChI=1S/C20H33N/c1-2-3-4-5-6-7-8-11-14-20(17-21)15-18-12-9-10-13-19(18)16-20/h9-10,12-13H,2-8,11,14-17,21H2,1H3
InChIKeyUSTZXPWQTMSTKM-UHFFFAOYSA-N
XLogP5.26
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 ≤ 55.26
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

(2-nonyl-3,4-dihydro-1H-naphthalen-2-yl)methanamine
CID 65408872
2-octyl-1,3-dihydroindene-2-carboxylic acid
CID 65406419
2-heptyl-3,4-dihydro-1H-naphthalen-2-ol
CID 65147056
[2-[3-(2,2,2-trifluoroethoxy)propyl]-1,3-dihydroinden-2-yl]methanamine
CID 65406548
(1-pentylcyclopentyl)methanamine
CID 62725889
1-amino-2-hexyl-1,3-dihydroinden-2-ol
CID 118588844
1-butyl-2,2-dimethyl-3H-indole
CID 18788042
[2-(2-methylpropyl)-3,4-dihydro-1H-naphthalen-2-yl]methanamine
CID 65408100
(1-octylcyclohexyl)methylbenzene
CID 90738886
3-benzyl-3-nonylazetidine
CID 79451822
9H-fluorene;henicosane
CID 174789372
[2-[2-(3-methylbutoxy)ethyl]-3,4-dihydro-1H-naphthalen-2-yl]methanamine
CID 65407527

Frequently Asked Questions

What is the IUPAC name of (2-decyl-1,3-dihydroinden-2-yl)methanamine?
The IUPAC name of (2-decyl-1,3-dihydroinden-2-yl)methanamine (CID 65406549) is (2-decyl-1,3-dihydroinden-2-yl)methanamine.
What is the SMILES notation for (2-decyl-1,3-dihydroinden-2-yl)methanamine?
The canonical SMILES for (2-decyl-1,3-dihydroinden-2-yl)methanamine is CCCCCCCCCCC1(CN)Cc2ccccc2C1.
What is the InChIKey of (2-decyl-1,3-dihydroinden-2-yl)methanamine?
The InChIKey is USTZXPWQTMSTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-2-3-4-5-6-7-8-11-14-20(17-21)15-18-12-9-10-13-19(18)16-20/h9-10,12-13H,2-8,11,14-17,21H2,1H3.
What are the key properties of (2-decyl-1,3-dihydroinden-2-yl)methanamine?
(2-decyl-1,3-dihydroinden-2-yl)methanamine has a molecular weight of 287.49 g/mol, XLogP of 5.26, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-decyl-1,3-dihydroinden-2-yl)methanamine is sourced from PubChem (CID 65406549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).