N-ethylbicyclo[2.2.1]heptan-2-amine

C9H17N — CID 19957372

IUPACN-ethylbicyclo[2.2.1]heptan-2-amine
SMILESCCNC1CC2CCC1C2
InChIInChI=1S/C9H17N/c1-2-10-9-6-7-3-4-8(9)5-7/h7-10H,2-6H2,1H3
InChIKeyKVEJWQUVILAHPX-UHFFFAOYSA-N
MW139.24 g/mol
LogP1.78
Rot. Bonds2

About N-ethylbicyclo[2.2.1]heptan-2-amine

N-ethylbicyclo[2.2.1]heptan-2-amine (PubChem CID 19957372) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N-ethylbicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-ethylbicyclo[2.2.1]heptan-2-amine
PubChem CID19957372
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN-ethylbicyclo[2.2.1]heptan-2-amine
SMILESCCNC1CC2CCC1C2
InChIInChI=1S/C9H17N/c1-2-10-9-6-7-3-4-8(9)5-7/h7-10H,2-6H2,1H3
InChIKeyKVEJWQUVILAHPX-UHFFFAOYSA-N
XLogP1.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,2R,4R)-N-propylbicyclo[2.2.1]heptan-2-amine
CID 98048766
(1S,2R,4S)-N-pentylbicyclo[2.2.1]heptan-2-amine
CID 124526640
N-ethyl-4-methylbicyclo[7.2.2]tridecan-10-amine
CID 170364736
N-[(1-propylcyclopropyl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 115893902
N-(3-ethoxypropyl)bicyclo[2.2.1]heptan-2-amine
CID 61308200
N-(2,2-difluoropropyl)bicyclo[2.2.1]heptan-2-amine
CID 130712762
(1R,2S,4R)-N-(3-methylbutyl)bicyclo[2.2.1]heptan-2-amine
CID 98119396
N-(3-ethylsulfonylpropyl)bicyclo[2.2.1]heptan-2-amine
CID 65093327
N-prop-2-enylbicyclo[2.2.1]heptan-2-amine
CID 21444290
(1S,2R,4R)-N-methylbicyclo[2.2.1]heptan-2-amine;hydrochloride
CID 138991134
(1R,2S,4S)-N-(3-methoxypropyl)bicyclo[2.2.1]heptan-2-amine
CID 6594927
1-(2-bicyclo[2.2.1]heptanylamino)-3-methylbutan-2-ol
CID 115886357

Frequently Asked Questions

What is the IUPAC name of N-ethylbicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-ethylbicyclo[2.2.1]heptan-2-amine (CID 19957372) is N-ethylbicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-ethylbicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-ethylbicyclo[2.2.1]heptan-2-amine is CCNC1CC2CCC1C2.
What is the InChIKey of N-ethylbicyclo[2.2.1]heptan-2-amine?
The InChIKey is KVEJWQUVILAHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-2-10-9-6-7-3-4-8(9)5-7/h7-10H,2-6H2,1H3.
What are the key properties of N-ethylbicyclo[2.2.1]heptan-2-amine?
N-ethylbicyclo[2.2.1]heptan-2-amine has a molecular weight of 139.24 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylbicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 19957372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).