N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methoxycyclohexan-1-amine

C15H27NO — CID 55233224

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-2-methoxycyclohexan-1-amine
SMILESCOC1CCCCC1NCC1CC2CCC1C2
InChIInChI=1S/C15H27NO/c1-17-15-5-3-2-4-14(15)16-10-13-9-11-6-7-12(13)8-11/h11-16H,2-10H2,1H3
InChIKeyWQGOWIBUKMVMOT-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.97
Rot. Bonds4

About N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methoxycyclohexan-1-amine

N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methoxycyclohexan-1-amine (PubChem CID 55233224) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methoxycyclohexan-1-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-2-methoxycyclohexan-1-amine
PubChem CID55233224
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-2-methoxycyclohexan-1-amine
SMILESCOC1CCCCC1NCC1CC2CCC1C2
InChIInChI=1S/C15H27NO/c1-17-15-5-3-2-4-14(15)16-10-13-9-11-6-7-12(13)8-11/h11-16H,2-10H2,1H3
InChIKeyWQGOWIBUKMVMOT-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methoxycyclohexan-1-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methoxycyclohexan-1-amine (CID 55233224) is N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methoxycyclohexan-1-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methoxycyclohexan-1-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methoxycyclohexan-1-amine is COC1CCCCC1NCC1CC2CCC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methoxycyclohexan-1-amine?
The InChIKey is WQGOWIBUKMVMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-17-15-5-3-2-4-14(15)16-10-13-9-11-6-7-12(13)8-11/h11-16H,2-10H2,1H3.
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methoxycyclohexan-1-amine?
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methoxycyclohexan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methoxycyclohexan-1-amine is sourced from PubChem (CID 55233224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).