N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]hexan-1-amine

C17H27NO — CID 63516360

IUPACN-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]hexan-1-amine
SMILESCCCCCCNCCOc1ccc2c(c1)CCC2
InChIInChI=1S/C17H27NO/c1-2-3-4-5-11-18-12-13-19-17-10-9-15-7-6-8-16(15)14-17/h9-10,14,18H,2-8,11-13H2,1H3
InChIKeyDGVSCRYYHOIJIV-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.72
Rot. Bonds9

About N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]hexan-1-amine

N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]hexan-1-amine (PubChem CID 63516360) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]hexan-1-amine.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]hexan-1-amine
PubChem CID63516360
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]hexan-1-amine
SMILESCCCCCCNCCOc1ccc2c(c1)CCC2
InChIInChI=1S/C17H27NO/c1-2-3-4-5-11-18-12-13-19-17-10-9-15-7-6-8-16(15)14-17/h9-10,14,18H,2-8,11-13H2,1H3
InChIKeyDGVSCRYYHOIJIV-UHFFFAOYSA-N
XLogP3.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(2,3-dihydro-1H-inden-5-yloxy)-N-propylpentan-1-amine
CID 55077053
N-ethyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine
CID 55075397
2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylethanamine
CID 14809522
2-[3-(2,3-dihydro-1H-inden-5-yloxy)propoxy]-N-ethylethanamine
CID 82353891
N-tert-butyl-5-(2,3-dihydro-1H-inden-5-yloxy)pentan-1-amine
CID 62458571
4-(2,3-dihydro-1H-inden-5-yloxy)-N-propan-2-ylbutan-1-amine
CID 62460874
2-(2,3-dihydro-1H-inden-5-yloxy)-N-pentylacetamide
CID 86976042
3-(1,3-dihydro-2-benzofuran-5-yloxy)-N-propylpropan-1-amine
CID 156569114
N-propyl-3-[[7-[3-(propylamino)propoxy]-9H-fluoren-2-yl]oxy]propan-1-amine
CID 11463619
N-(3-naphthalen-2-yloxypropyl)dodecan-1-amine
CID 10451764
N-[2-(4-ethylphenoxy)ethyl]hexan-1-amine
CID 55195709
N-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]cyclopropanamine
CID 29015190

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]hexan-1-amine?
The IUPAC name of N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]hexan-1-amine (CID 63516360) is N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]hexan-1-amine.
What is the SMILES notation for N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]hexan-1-amine?
The canonical SMILES for N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]hexan-1-amine is CCCCCCNCCOc1ccc2c(c1)CCC2.
What is the InChIKey of N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]hexan-1-amine?
The InChIKey is DGVSCRYYHOIJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-2-3-4-5-11-18-12-13-19-17-10-9-15-7-6-8-16(15)14-17/h9-10,14,18H,2-8,11-13H2,1H3.
What are the key properties of N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]hexan-1-amine?
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]hexan-1-amine has a molecular weight of 261.41 g/mol, XLogP of 3.72, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]hexan-1-amine is sourced from PubChem (CID 63516360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).