(2R)-N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-methoxypropan-2-amine

C12H21NO — CID 98118059

IUPAC(2R)-N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-methoxypropan-2-amine
SMILESCOC[C@@H](C)NC[C@@H]1C[C@H]2C=C[C@H]1C2
InChIInChI=1S/C12H21NO/c1-9(8-14-2)13-7-12-6-10-3-4-11(12)5-10/h3-4,9-13H,5-8H2,1-2H3/t9-,10+,11+,12+/m1/s1
InChIKeyHVSFGZLGIVJQJB-RHYQMDGZSA-N
MW195.31 g/mol
LogP1.82
Rot. Bonds5

About (2R)-N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-methoxypropan-2-amine

(2R)-N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-methoxypropan-2-amine (PubChem CID 98118059) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (2R)-N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-methoxypropan-2-amine.

Molecular Properties

Compound Name(2R)-N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-methoxypropan-2-amine
PubChem CID98118059
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(2R)-N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-methoxypropan-2-amine
SMILESCOC[C@@H](C)NC[C@@H]1C[C@H]2C=C[C@H]1C2
InChIInChI=1S/C12H21NO/c1-9(8-14-2)13-7-12-6-10-3-4-11(12)5-10/h3-4,9-13H,5-8H2,1-2H3/t9-,10+,11+,12+/m1/s1
InChIKeyHVSFGZLGIVJQJB-RHYQMDGZSA-N
XLogP1.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R)-N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-methoxypropan-2-amine with MolForge

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Related Compounds

[(Cyclohex-3-en-1-yl)methyl](2-methoxyethyl)amine
CID 43180514
(Bicyclo(2.2.1)hept-5-en-2-ylmethyl)(propan-2-yl)amine
CID 43225117
2-[(Bicyclo[2.2.1]hept-5-en-2-ylmethyl)-amino]-ethanol
CID 3154449
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 60733441
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 63826425
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-(2,2-difluoroethoxy)ethanamine
CID 103081243
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[2-(2,2-difluoroethoxy)ethyl]ethanamine
CID 114126876
N-({bicyclo[2.2.1]hept-5-en-2-yl}methyl)-4-fluorooxolan-3-amine
CID 126856369
2-(2-Bicyclo[2.2.1]hept-5-enylmethylamino)hexan-1-ol
CID 20649894
2-[(5,6-Diethylcyclohex-3-en-1-yl)amino]ethanol
CID 53678619
(1S,6R)-N-(1-methoxypropan-2-yl)bicyclo[4.1.0]hept-2-en-7-amine
CID 146222822
2-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]ethanol
CID 7236700

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-methoxypropan-2-amine?
The IUPAC name of (2R)-N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-methoxypropan-2-amine (CID 98118059) is (2R)-N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-methoxypropan-2-amine.
What is the SMILES notation for (2R)-N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-methoxypropan-2-amine?
The canonical SMILES for (2R)-N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-methoxypropan-2-amine is COC[C@@H](C)NC[C@@H]1C[C@H]2C=C[C@H]1C2.
What is the InChIKey of (2R)-N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-methoxypropan-2-amine?
The InChIKey is HVSFGZLGIVJQJB-RHYQMDGZSA-N. The full InChI is InChI=1S/C12H21NO/c1-9(8-14-2)13-7-12-6-10-3-4-11(12)5-10/h3-4,9-13H,5-8H2,1-2H3/t9-,10+,11+,12+/m1/s1.
What are the key properties of (2R)-N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-methoxypropan-2-amine?
(2R)-N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-methoxypropan-2-amine has a molecular weight of 195.31 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-1-methoxypropan-2-amine is sourced from PubChem (CID 98118059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).