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

C12H21N — CID 115892511

IUPACN-(3-methylcyclobutyl)bicyclo[2.2.1]heptan-2-amine
SMILESCC1CC(NC2CC3CCC2C3)C1
InChIInChI=1S/C12H21N/c1-8-4-11(5-8)13-12-7-9-2-3-10(12)6-9/h8-13H,2-7H2,1H3
InChIKeyZZTPQEXBYGFMKJ-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.56
Rot. Bonds2

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

N-(3-methylcyclobutyl)bicyclo[2.2.1]heptan-2-amine (PubChem CID 115892511) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is N-(3-methylcyclobutyl)bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-(3-methylcyclobutyl)bicyclo[2.2.1]heptan-2-amine
PubChem CID115892511
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC NameN-(3-methylcyclobutyl)bicyclo[2.2.1]heptan-2-amine
SMILESCC1CC(NC2CC3CCC2C3)C1
InChIInChI=1S/C12H21N/c1-8-4-11(5-8)13-12-7-9-2-3-10(12)6-9/h8-13H,2-7H2,1H3
InChIKeyZZTPQEXBYGFMKJ-UHFFFAOYSA-N
XLogP2.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-methoxycyclobutyl)bicyclo[2.2.1]heptan-2-amine
CID 104584533
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
N-(3-methylcyclobutyl)bicyclo[3.1.0]hexan-2-amine
CID 130500238
(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
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
(1S,2R,4R)-N-methylbicyclo[2.2.1]heptan-2-amine;hydrochloride
CID 138991134
2-methyl-N-(3-methylcyclobutyl)cycloheptan-1-amine
CID 104859847
N-(2-bicyclo[2.2.1]heptanyl)-5,5-dimethylthian-3-amine
CID 79958327
5-(2-bicyclo[2.2.1]heptanylamino)-1-methylpiperidin-2-one
CID 64654722

Frequently Asked Questions

What is the IUPAC name of N-(3-methylcyclobutyl)bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-(3-methylcyclobutyl)bicyclo[2.2.1]heptan-2-amine (CID 115892511) is N-(3-methylcyclobutyl)bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-(3-methylcyclobutyl)bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-(3-methylcyclobutyl)bicyclo[2.2.1]heptan-2-amine is CC1CC(NC2CC3CCC2C3)C1.
What is the InChIKey of N-(3-methylcyclobutyl)bicyclo[2.2.1]heptan-2-amine?
The InChIKey is ZZTPQEXBYGFMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-8-4-11(5-8)13-12-7-9-2-3-10(12)6-9/h8-13H,2-7H2,1H3.
What are the key properties of N-(3-methylcyclobutyl)bicyclo[2.2.1]heptan-2-amine?
N-(3-methylcyclobutyl)bicyclo[2.2.1]heptan-2-amine has a molecular weight of 179.31 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcyclobutyl)bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 115892511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).