(1R,4R)-N-ethyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptan-1-amine

C12H21N — CID 10797440

IUPAC(1R,4R)-N-ethyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptan-1-amine
SMILESC=C1C(C)(C)[C@@H]2CC[C@@]1(NCC)C2
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/t10-,12-/m1/s1
InChIKeyXNHUWXDBHVPNDP-ZYHUDNBSSA-N
MW179.31 g/mol
LogP2.73
Rot. Bonds2

About (1R,4R)-N-ethyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptan-1-amine

(1R,4R)-N-ethyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptan-1-amine (PubChem CID 10797440) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is (1R,4R)-N-ethyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptan-1-amine.

Molecular Properties

Compound Name(1R,4R)-N-ethyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptan-1-amine
PubChem CID10797440
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name(1R,4R)-N-ethyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptan-1-amine
SMILESC=C1C(C)(C)[C@@H]2CC[C@@]1(NCC)C2
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/t10-,12-/m1/s1
InChIKeyXNHUWXDBHVPNDP-ZYHUDNBSSA-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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Related Compounds

N-ethyl-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptan-1-amine
CID 15226433
N-ethyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptan-1-amine
CID 15226434
2-Methylene-3,3-dimethylbicyclo(2.2.1)heptane-1-amine
CID 139478
Bicyclo[2.2.1]heptan-1-amine, 3,3-dimethyl-2-methylene-, (1R,4R)-(9CI)
CID 10888093
2,3,3-trimethyl-N-prop-2-enylbicyclo[2.2.1]heptan-2-amine
CID 20038637
7,7-dimethyl-N-(2-methylprop-2-enyl)bicyclo[2.2.1]heptan-1-amine
CID 70631195
N-but-3-en-2-yl-7,7-dimethylbicyclo[2.2.1]heptan-1-amine
CID 70631197
ethane;N-methyl-3-prop-1-en-2-ylbicyclo[2.2.1]heptan-2-amine
CID 142066494
2-ethenyl-N-methylbicyclo[2.2.1]heptan-2-amine
CID 155274496
(2R,4R)-N,7,7-trimethyl-6-methylidenebicyclo[2.2.1]heptan-2-amine
CID 166844250
(1R,4R)-N-ethyl-2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptan-1-amine
CID 9989830
(1R,4R)-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptan-1-amine;hydrochloride
CID 23584362

Frequently Asked Questions

What is the IUPAC name of (1R,4R)-N-ethyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptan-1-amine?
The IUPAC name of (1R,4R)-N-ethyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptan-1-amine (CID 10797440) is (1R,4R)-N-ethyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptan-1-amine.
What is the SMILES notation for (1R,4R)-N-ethyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptan-1-amine?
The canonical SMILES for (1R,4R)-N-ethyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptan-1-amine is C=C1C(C)(C)[C@@H]2CC[C@@]1(NCC)C2.
What is the InChIKey of (1R,4R)-N-ethyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptan-1-amine?
The InChIKey is XNHUWXDBHVPNDP-ZYHUDNBSSA-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/t10-,12-/m1/s1.
What are the key properties of (1R,4R)-N-ethyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptan-1-amine?
(1R,4R)-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 (1R,4R)-N-ethyl-3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptan-1-amine is sourced from PubChem (CID 10797440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).