N-(3-methoxycyclobutyl)bicyclo[2.2.1]heptan-2-amine

C12H21NO — CID 104584533

IUPACN-(3-methoxycyclobutyl)bicyclo[2.2.1]heptan-2-amine
SMILESCOC1CC(NC2CC3CCC2C3)C1
InChIInChI=1S/C12H21NO/c1-14-11-6-10(7-11)13-12-5-8-2-3-9(12)4-8/h8-13H,2-7H2,1H3
InChIKeyIBPOVXZZKCYVDP-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.94
Rot. Bonds3

About N-(3-methoxycyclobutyl)bicyclo[2.2.1]heptan-2-amine

N-(3-methoxycyclobutyl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 104584533) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-(3-methoxycyclobutyl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-(3-methoxycyclobutyl)bicyclo[2.2.1]heptan-2-amine
PubChem CID104584533
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-(3-methoxycyclobutyl)bicyclo[2.2.1]heptan-2-amine
SMILESCOC1CC(NC2CC3CCC2C3)C1
InChIInChI=1S/C12H21NO/c1-14-11-6-10(7-11)13-12-5-8-2-3-9(12)4-8/h8-13H,2-7H2,1H3
InChIKeyIBPOVXZZKCYVDP-UHFFFAOYSA-N
XLogP1.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylcyclobutyl)bicyclo[2.2.1]heptan-2-amine
CID 115892511
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-methylpiperidin-4-amine
CID 98119463
1-N-(2-bicyclo[2.2.1]heptanyl)-3-N,3-N-dimethylcyclopentane-1,3-diamine
CID 115897267
(3S)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-methylpyrrolidin-3-amine
CID 124710062
N-(2-bicyclo[2.2.1]heptanyl)-1-ethylazetidin-3-amine
CID 131031507
5-(2-bicyclo[2.2.1]heptanylamino)-1-methylpiperidin-2-one
CID 64654722
N-(3-methylsulfanylcyclohexyl)bicyclo[2.2.1]heptan-2-amine
CID 115886375
(3S)-N-(2-bicyclo[2.2.1]heptanyl)oxan-3-amine
CID 130778573
N-(2-bicyclo[2.2.1]heptanyl)-8-methoxy-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 19431028
(1S,2R,4R)-N-methylbicyclo[2.2.1]heptan-2-amine;hydrochloride
CID 138991134
2-ethyl-N-(3-methoxycyclobutyl)cyclohexan-1-amine
CID 104584298
N-(2-bicyclo[2.2.1]heptanyl)-5,5-dimethylthian-3-amine
CID 79958327

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxycyclobutyl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-(3-methoxycyclobutyl)bicyclo[2.2.1]heptan-2-amine (CID 104584533) is N-(3-methoxycyclobutyl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-(3-methoxycyclobutyl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-(3-methoxycyclobutyl)bicyclo[2.2.1]heptan-2-amine is COC1CC(NC2CC3CCC2C3)C1.
What is the InChIKey of N-(3-methoxycyclobutyl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is IBPOVXZZKCYVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-14-11-6-10(7-11)13-12-5-8-2-3-9(12)4-8/h8-13H,2-7H2,1H3.
What are the key properties of N-(3-methoxycyclobutyl)bicyclo[2.2.1]heptan-2-amine?
N-(3-methoxycyclobutyl)bicyclo[2.2.1]heptan-2-amine has a molecular weight of 195.31 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxycyclobutyl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 104584533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).