5-(cyclopropylmethoxymethoxy)-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine

C18H27NO2 — CID 106929342

IUPAC5-(cyclopropylmethoxymethoxy)-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCCNC1CCCc2c(OCOCC3CC3)cccc21
InChIInChI=1S/C18H27NO2/c1-2-11-19-17-7-3-6-16-15(17)5-4-8-18(16)21-13-20-12-14-9-10-14/h4-5,8,14,17,19H,2-3,6-7,9-13H2,1H3
InChIKeyATXSVZVKMHYVNF-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.83
Rot. Bonds8

About 5-(cyclopropylmethoxymethoxy)-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine

5-(cyclopropylmethoxymethoxy)-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 106929342) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 5-(cyclopropylmethoxymethoxy)-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name5-(cyclopropylmethoxymethoxy)-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID106929342
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name5-(cyclopropylmethoxymethoxy)-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCCNC1CCCc2c(OCOCC3CC3)cccc21
InChIInChI=1S/C18H27NO2/c1-2-11-19-17-7-3-6-16-15(17)5-4-8-18(16)21-13-20-12-14-9-10-14/h4-5,8,14,17,19H,2-3,6-7,9-13H2,1H3
InChIKeyATXSVZVKMHYVNF-UHFFFAOYSA-N
XLogP3.83
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(3-methoxypropoxy)-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65454433
N-propyl-5-(thiophen-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65453675
N-propyl-4-(2,2,2-trifluoroethoxymethoxy)-2,3-dihydro-1H-inden-1-amine
CID 106704665
5-but-3-enoxy-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65454622
5-(cyclopropylmethoxymethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 106929819
5-[(E)-3-chloro-2-methylprop-2-enoxy]-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106437032
N-ethyl-5-pentoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65455939
5-(methoxymethoxy)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65455743
4-(3,3-dimethylbutoxy)-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 63485329
N-ethyl-5-prop-2-ynoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65456133
5-butoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65455547
5-but-3-ynoxy-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65454800

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethoxymethoxy)-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 5-(cyclopropylmethoxymethoxy)-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine (CID 106929342) is 5-(cyclopropylmethoxymethoxy)-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 5-(cyclopropylmethoxymethoxy)-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 5-(cyclopropylmethoxymethoxy)-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine is CCCNC1CCCc2c(OCOCC3CC3)cccc21.
What is the InChIKey of 5-(cyclopropylmethoxymethoxy)-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is ATXSVZVKMHYVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-2-11-19-17-7-3-6-16-15(17)5-4-8-18(16)21-13-20-12-14-9-10-14/h4-5,8,14,17,19H,2-3,6-7,9-13H2,1H3.
What are the key properties of 5-(cyclopropylmethoxymethoxy)-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine?
5-(cyclopropylmethoxymethoxy)-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 289.42 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethoxymethoxy)-N-propyl-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 106929342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).