N-(2-methoxycyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine

C17H25NO — CID 5190577

IUPACN-(2-methoxycyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOC1CCCCC1NC1CCCc2ccccc21
InChIInChI=1S/C17H25NO/c1-19-17-12-5-4-10-16(17)18-15-11-6-8-13-7-2-3-9-14(13)15/h2-3,7,9,15-18H,4-6,8,10-12H2,1H3
InChIKeyCRUFBTYGTDNZMU-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.61
Rot. Bonds3

About N-(2-methoxycyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine

N-(2-methoxycyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 5190577) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-(2-methoxycyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-(2-methoxycyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID5190577
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-(2-methoxycyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOC1CCCCC1NC1CCCc2ccccc21
InChIInChI=1S/C17H25NO/c1-19-17-12-5-4-10-16(17)18-15-11-6-8-13-7-2-3-9-14(13)15/h2-3,7,9,15-18H,4-6,8,10-12H2,1H3
InChIKeyCRUFBTYGTDNZMU-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxycyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-(2-methoxycyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 5190577) is N-(2-methoxycyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-(2-methoxycyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-(2-methoxycyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine is COC1CCCCC1NC1CCCc2ccccc21.
What is the InChIKey of N-(2-methoxycyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is CRUFBTYGTDNZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-19-17-12-5-4-10-16(17)18-15-11-6-8-13-7-2-3-9-14(13)15/h2-3,7,9,15-18H,4-6,8,10-12H2,1H3.
What are the key properties of N-(2-methoxycyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine?
N-(2-methoxycyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 259.39 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxycyclohexyl)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 5190577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).