N-(3,3-diethoxypropyl)-2,3-dihydro-1H-inden-5-amine

C16H25NO2 — CID 81095205

IUPACN-(3,3-diethoxypropyl)-2,3-dihydro-1H-inden-5-amine
SMILESCCOC(CCNc1ccc2c(c1)CCC2)OCC
InChIInChI=1S/C16H25NO2/c1-3-18-16(19-4-2)10-11-17-15-9-8-13-6-5-7-14(13)12-15/h8-9,12,16-17H,3-7,10-11H2,1-2H3
InChIKeyZTTCYNRVDPANAV-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.38
Rot. Bonds8

About N-(3,3-diethoxypropyl)-2,3-dihydro-1H-inden-5-amine

N-(3,3-diethoxypropyl)-2,3-dihydro-1H-inden-5-amine (PubChem CID 81095205) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-(3,3-diethoxypropyl)-2,3-dihydro-1H-inden-5-amine.

Molecular Properties

Compound NameN-(3,3-diethoxypropyl)-2,3-dihydro-1H-inden-5-amine
PubChem CID81095205
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-(3,3-diethoxypropyl)-2,3-dihydro-1H-inden-5-amine
SMILESCCOC(CCNc1ccc2c(c1)CCC2)OCC
InChIInChI=1S/C16H25NO2/c1-3-18-16(19-4-2)10-11-17-15-9-8-13-6-5-7-14(13)12-15/h8-9,12,16-17H,3-7,10-11H2,1-2H3
InChIKeyZTTCYNRVDPANAV-UHFFFAOYSA-N
XLogP3.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N'-(2,3-dihydro-1H-inden-5-yl)-N-ethylethane-1,2-diamine
CID 115205551
N-(4,4-dimethylpentyl)-2,3-dihydro-1H-inden-5-amine
CID 114209369
N'-(2,3-dihydro-1H-inden-5-yl)-N-methylmethanediamine
CID 115226489
N-(3,3,3-trifluoropropyl)-2,3-dihydro-1H-inden-5-amine
CID 64554180
N'-(5,6,7,8-tetrahydronaphthalen-2-yl)ethane-1,2-diamine
CID 82490968
N-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-yl)propane-1,3-diamine
CID 115197636
1-N-(2,3-dihydro-1H-inden-5-yl)-4-methylpentane-1,4-diamine
CID 115205117
N-(cyclopropylmethyl)-2,3-dihydro-1H-inden-5-amine
CID 43560294
N'-(2,3-dihydro-1H-inden-5-yl)pentane-1,5-diamine
CID 59229873
N-tert-butyl-2,3-dihydro-1H-inden-5-amine;ethane
CID 167619505
ethyl 2-(2,3-dihydro-1H-inden-5-ylamino)pentanoate
CID 79040702
N-[1-(4-ethoxyphenyl)ethyl]-2,3-dihydro-1H-inden-5-amine
CID 43104651

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diethoxypropyl)-2,3-dihydro-1H-inden-5-amine?
The IUPAC name of N-(3,3-diethoxypropyl)-2,3-dihydro-1H-inden-5-amine (CID 81095205) is N-(3,3-diethoxypropyl)-2,3-dihydro-1H-inden-5-amine.
What is the SMILES notation for N-(3,3-diethoxypropyl)-2,3-dihydro-1H-inden-5-amine?
The canonical SMILES for N-(3,3-diethoxypropyl)-2,3-dihydro-1H-inden-5-amine is CCOC(CCNc1ccc2c(c1)CCC2)OCC.
What is the InChIKey of N-(3,3-diethoxypropyl)-2,3-dihydro-1H-inden-5-amine?
The InChIKey is ZTTCYNRVDPANAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-18-16(19-4-2)10-11-17-15-9-8-13-6-5-7-14(13)12-15/h8-9,12,16-17H,3-7,10-11H2,1-2H3.
What are the key properties of N-(3,3-diethoxypropyl)-2,3-dihydro-1H-inden-5-amine?
N-(3,3-diethoxypropyl)-2,3-dihydro-1H-inden-5-amine has a molecular weight of 263.38 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diethoxypropyl)-2,3-dihydro-1H-inden-5-amine is sourced from PubChem (CID 81095205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).