N-(2-methoxycyclohexyl)tricyclo[5.2.1.02,6]decan-8-amine

C17H29NO — CID 43787357

IUPACN-(2-methoxycyclohexyl)tricyclo[5.2.1.02,6]decan-8-amine
SMILESCOC1CCCCC1NC1CC2CC1C1CCCC21
InChIInChI=1S/C17H29NO/c1-19-17-8-3-2-7-15(17)18-16-10-11-9-14(16)13-6-4-5-12(11)13/h11-18H,2-10H2,1H3
InChIKeyBBFVADOZEXWRHQ-UHFFFAOYSA-N
MW263.42 g/mol
LogP3.36
Rot. Bonds3

About N-(2-methoxycyclohexyl)tricyclo[5.2.1.02,6]decan-8-amine

N-(2-methoxycyclohexyl)tricyclo[5.2.1.02,6]decan-8-amine (PubChem CID 43787357) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is N-(2-methoxycyclohexyl)tricyclo[5.2.1.02,6]decan-8-amine.

Molecular Properties

Compound NameN-(2-methoxycyclohexyl)tricyclo[5.2.1.02,6]decan-8-amine
PubChem CID43787357
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC NameN-(2-methoxycyclohexyl)tricyclo[5.2.1.02,6]decan-8-amine
SMILESCOC1CCCCC1NC1CC2CC1C1CCCC21
InChIInChI=1S/C17H29NO/c1-19-17-8-3-2-7-15(17)18-16-10-11-9-14(16)13-6-4-5-12(11)13/h11-18H,2-10H2,1H3
InChIKeyBBFVADOZEXWRHQ-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxycyclohexyl)tricyclo[5.2.1.02,6]decan-8-amine?
The IUPAC name of N-(2-methoxycyclohexyl)tricyclo[5.2.1.02,6]decan-8-amine (CID 43787357) is N-(2-methoxycyclohexyl)tricyclo[5.2.1.02,6]decan-8-amine.
What is the SMILES notation for N-(2-methoxycyclohexyl)tricyclo[5.2.1.02,6]decan-8-amine?
The canonical SMILES for N-(2-methoxycyclohexyl)tricyclo[5.2.1.02,6]decan-8-amine is COC1CCCCC1NC1CC2CC1C1CCCC21.
What is the InChIKey of N-(2-methoxycyclohexyl)tricyclo[5.2.1.02,6]decan-8-amine?
The InChIKey is BBFVADOZEXWRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-19-17-8-3-2-7-15(17)18-16-10-11-9-14(16)13-6-4-5-12(11)13/h11-18H,2-10H2,1H3.
What are the key properties of N-(2-methoxycyclohexyl)tricyclo[5.2.1.02,6]decan-8-amine?
N-(2-methoxycyclohexyl)tricyclo[5.2.1.02,6]decan-8-amine has a molecular weight of 263.42 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxycyclohexyl)tricyclo[5.2.1.02,6]decan-8-amine is sourced from PubChem (CID 43787357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).