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

C16H29NO — CID 43761070

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methoxycyclohexan-1-amine
SMILESCOC1CCCCC1NC(C)C1CC2CCC1C2
InChIInChI=1S/C16H29NO/c1-11(14-10-12-7-8-13(14)9-12)17-15-5-3-4-6-16(15)18-2/h11-17H,3-10H2,1-2H3
InChIKeyABEFJPODGGUYFV-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.36
Rot. Bonds4

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

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methoxycyclohexan-1-amine (PubChem CID 43761070) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methoxycyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methoxycyclohexan-1-amine
PubChem CID43761070
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methoxycyclohexan-1-amine
SMILESCOC1CCCCC1NC(C)C1CC2CCC1C2
InChIInChI=1S/C16H29NO/c1-11(14-10-12-7-8-13(14)9-12)17-15-5-3-4-6-16(15)18-2/h11-17H,3-10H2,1-2H3
InChIKeyABEFJPODGGUYFV-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(2-Bicyclo[2.2.1]heptanyl)-2-fluoro-2-methylpropyl]morpholine
CID 116011258
1-(2-bicyclo[2.2.1]heptanyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 43179786
1-(2-bicyclo[2.2.1]heptanyl)-N-(2-methoxyethyl)ethanamine
CID 43179809
1-(2-bicyclo[2.2.1]heptanyl)-N-(2-ethoxyethyl)ethanamine
CID 43387930
1-(2-bicyclo[2.2.1]heptanyl)-N-(oxan-2-ylmethyl)ethanamine
CID 43403119
N-(2-methoxycyclohexyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 43781104
N-(2-methoxycyclohexyl)tricyclo[5.2.1.02,6]decan-8-amine
CID 43787357
N-[(4-ethylcyclohexyl)methyl]-2-methoxycyclohexan-1-amine
CID 54880931
1-(2-bicyclo[2.2.1]heptanyl)-N-[2-(3-methylbutoxy)ethyl]ethanamine
CID 54955930
1-(2-bicyclo[2.2.1]heptanyl)-N-(2-butoxyethyl)ethanamine
CID 54956651
2-methoxy-N-[(2-methylcyclohexyl)methyl]cyclohexan-1-amine
CID 55013388
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methoxycyclohexan-1-amine
CID 55233224

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methoxycyclohexan-1-amine?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methoxycyclohexan-1-amine (CID 43761070) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methoxycyclohexan-1-amine.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methoxycyclohexan-1-amine?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methoxycyclohexan-1-amine is COC1CCCCC1NC(C)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methoxycyclohexan-1-amine?
The InChIKey is ABEFJPODGGUYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-11(14-10-12-7-8-13(14)9-12)17-15-5-3-4-6-16(15)18-2/h11-17H,3-10H2,1-2H3.
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methoxycyclohexan-1-amine?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methoxycyclohexan-1-amine has a molecular weight of 251.41 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-methoxycyclohexan-1-amine is sourced from PubChem (CID 43761070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).