N-ethyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptan-1-amine

C12H21N — CID 15226434

IUPACN-ethyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptan-1-amine
SMILESC=C1C2(NCC)CCC(C2)C1(C)C
InChIInChI=1S/C12H21N/c1-5-13-12-7-6-10(8-12)11(3,4)9(12)2/h10,13H,2,5-8H2,1,3-4H3
InChIKeyXNHUWXDBHVPNDP-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.73
Rot. Bonds2

About N-ethyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptan-1-amine

N-ethyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptan-1-amine (PubChem CID 15226434) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is N-ethyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptan-1-amine.

Molecular Properties

Compound NameN-ethyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptan-1-amine
PubChem CID15226434
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC NameN-ethyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptan-1-amine
SMILESC=C1C2(NCC)CCC(C2)C1(C)C
InChIInChI=1S/C12H21N/c1-5-13-12-7-6-10(8-12)11(3,4)9(12)2/h10,13H,2,5-8H2,1,3-4H3
InChIKeyXNHUWXDBHVPNDP-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptan-1-amine?
The IUPAC name of N-ethyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptan-1-amine (CID 15226434) is N-ethyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptan-1-amine.
What is the SMILES notation for N-ethyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptan-1-amine?
The canonical SMILES for N-ethyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptan-1-amine is C=C1C2(NCC)CCC(C2)C1(C)C.
What is the InChIKey of N-ethyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptan-1-amine?
The InChIKey is XNHUWXDBHVPNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-5-13-12-7-6-10(8-12)11(3,4)9(12)2/h10,13H,2,5-8H2,1,3-4H3.
What are the key properties of N-ethyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptan-1-amine?
N-ethyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptan-1-amine has a molecular weight of 179.31 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptan-1-amine is sourced from PubChem (CID 15226434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).