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

C16H25NO — CID 82943032

IUPACN-(2,3-dihydro-1H-inden-5-ylmethyl)-3-propoxypropan-1-amine
SMILESCCCOCCCNCc1ccc2c(c1)CCC2
InChIInChI=1S/C16H25NO/c1-2-10-18-11-4-9-17-13-14-7-8-15-5-3-6-16(15)12-14/h7-8,12,17H,2-6,9-11,13H2,1H3
InChIKeyVECMQEWMMNGCDI-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.08
Rot. Bonds8

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

N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-propoxypropan-1-amine (PubChem CID 82943032) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-propoxypropan-1-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-ylmethyl)-3-propoxypropan-1-amine
PubChem CID82943032
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-(2,3-dihydro-1H-inden-5-ylmethyl)-3-propoxypropan-1-amine
SMILESCCCOCCCNCc1ccc2c(c1)CCC2
InChIInChI=1S/C16H25NO/c1-2-10-18-11-4-9-17-13-14-7-8-15-5-3-6-16(15)12-14/h7-8,12,17H,2-6,9-11,13H2,1H3
InChIKeyVECMQEWMMNGCDI-UHFFFAOYSA-N
XLogP3.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.08
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

N-(2,3-dihydro-1H-inden-5-ylmethyl)-4-(2-methoxyethoxy)butan-1-amine
CID 115660085
N-(2,3-dihydro-1H-inden-5-ylmethyl)propan-1-amine
CID 43163737
2-(2-chloroethoxy)-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine
CID 65024077
3-(2,3-dihydro-1H-inden-5-ylmethylamino)propane-1-thiol
CID 115224838
N-[(3-chloro-4-methylphenyl)methyl]-3-propoxypropan-1-amine
CID 106817046
4-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)butan-1-amine
CID 106844899
N-[(4-methoxy-3-methylphenyl)methyl]-3-propoxypropan-1-amine
CID 82942119
2-but-3-enoxy-N-(2,3-dihydro-1H-inden-5-ylmethyl)ethanamine
CID 103854378
5-chloro-N-(2,3-dihydro-1H-inden-5-ylmethyl)pentan-1-amine
CID 107319955
N-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)ethane-1,2-diamine
CID 115195816
1-[2-(2-butoxyethoxy)ethyl]-3-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylguanidine
CID 111693634
N-[(3,5-dichlorophenyl)methyl]-3-propoxypropan-1-amine
CID 82941583

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-propoxypropan-1-amine?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-propoxypropan-1-amine (CID 82943032) is N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-propoxypropan-1-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-propoxypropan-1-amine?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-propoxypropan-1-amine is CCCOCCCNCc1ccc2c(c1)CCC2.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-propoxypropan-1-amine?
The InChIKey is VECMQEWMMNGCDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-2-10-18-11-4-9-17-13-14-7-8-15-5-3-6-16(15)12-14/h7-8,12,17H,2-6,9-11,13H2,1H3.
What are the key properties of N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-propoxypropan-1-amine?
N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-propoxypropan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-propoxypropan-1-amine is sourced from PubChem (CID 82943032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).