N-(2-bicyclo[2.2.1]heptanyl)-1-ethylazetidin-3-amine

C12H22N2 — CID 131031507

IUPACN-(2-bicyclo[2.2.1]heptanyl)-1-ethylazetidin-3-amine
SMILESCCN1CC(NC2CC3CCC2C3)C1
InChIInChI=1S/C12H22N2/c1-2-14-7-11(8-14)13-12-6-9-3-4-10(12)5-9/h9-13H,2-8H2,1H3
InChIKeyHLDMCBGTWAKDSC-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.47
Rot. Bonds3

About N-(2-bicyclo[2.2.1]heptanyl)-1-ethylazetidin-3-amine

N-(2-bicyclo[2.2.1]heptanyl)-1-ethylazetidin-3-amine (PubChem CID 131031507) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-1-ethylazetidin-3-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-1-ethylazetidin-3-amine
PubChem CID131031507
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-1-ethylazetidin-3-amine
SMILESCCN1CC(NC2CC3CCC2C3)C1
InChIInChI=1S/C12H22N2/c1-2-14-7-11(8-14)13-12-6-9-3-4-10(12)5-9/h9-13H,2-8H2,1H3
InChIKeyHLDMCBGTWAKDSC-UHFFFAOYSA-N
XLogP1.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-methylpiperidin-4-amine
CID 98119463
(3S)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-methylpyrrolidin-3-amine
CID 124710062
N-(3-methylcyclobutyl)bicyclo[2.2.1]heptan-2-amine
CID 115892511
1-benzyl-N-(2-bicyclo[2.2.1]heptanyl)pyrrolidin-3-amine
CID 61308788
N-(3-methoxycyclobutyl)bicyclo[2.2.1]heptan-2-amine
CID 104584533
5-(2-bicyclo[2.2.1]heptanylamino)-1-methylpiperidin-2-one
CID 64654722
N-ethylbicyclo[2.2.1]heptan-2-amine
CID 19957372
1-N-(2-bicyclo[2.2.1]heptanyl)-3-N,3-N-dimethylcyclopentane-1,3-diamine
CID 115897267
1-ethyl-N-(3-methylcyclobutyl)azetidin-3-amine
CID 131067728
(1R,2R,4R)-N-propylbicyclo[2.2.1]heptan-2-amine
CID 98048766
N-(3-methylsulfanylcyclohexyl)bicyclo[2.2.1]heptan-2-amine
CID 115886375
N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-1-[bis(4-chlorophenyl)methyl]azetidin-3-amine
CID 22952911

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-1-ethylazetidin-3-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-1-ethylazetidin-3-amine (CID 131031507) is N-(2-bicyclo[2.2.1]heptanyl)-1-ethylazetidin-3-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-1-ethylazetidin-3-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-1-ethylazetidin-3-amine is CCN1CC(NC2CC3CCC2C3)C1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-1-ethylazetidin-3-amine?
The InChIKey is HLDMCBGTWAKDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-2-14-7-11(8-14)13-12-6-9-3-4-10(12)5-9/h9-13H,2-8H2,1H3.
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-1-ethylazetidin-3-amine?
N-(2-bicyclo[2.2.1]heptanyl)-1-ethylazetidin-3-amine has a molecular weight of 194.32 g/mol, XLogP of 1.47, 3 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]heptanyl)-1-ethylazetidin-3-amine is sourced from PubChem (CID 131031507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).