3-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]-N-cyclopentylpropanamide

C16H26N2O — CID 98220402

IUPAC3-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]-N-cyclopentylpropanamide
SMILESO=C(CCNC[C@@H]1C[C@H]2C=C[C@H]1C2)NC1CCCC1
InChIInChI=1S/C16H26N2O/c19-16(18-15-3-1-2-4-15)7-8-17-11-14-10-12-5-6-13(14)9-12/h5-6,12-15,17H,1-4,7-11H2,(H,18,19)/t12-,13-,14-/m0/s1
InChIKeyIPHPHXGCFDNKEX-IHRRRGAJSA-N
MW262.40 g/mol
LogP2.24
Rot. Bonds6

About 3-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]-N-cyclopentylpropanamide

3-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]-N-cyclopentylpropanamide (PubChem CID 98220402) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]-N-cyclopentylpropanamide.

Molecular Properties

Compound Name3-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]-N-cyclopentylpropanamide
PubChem CID98220402
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]-N-cyclopentylpropanamide
SMILESO=C(CCNC[C@@H]1C[C@H]2C=C[C@H]1C2)NC1CCCC1
InChIInChI=1S/C16H26N2O/c19-16(18-15-3-1-2-4-15)7-8-17-11-14-10-12-5-6-13(14)9-12/h5-6,12-15,17H,1-4,7-11H2,(H,18,19)/t12-,13-,14-/m0/s1
InChIKeyIPHPHXGCFDNKEX-IHRRRGAJSA-N
XLogP2.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]ethanol
CID 98042869
2-(2-bicyclo[2.2.1]hept-5-enylmethylamino)ethanol
CID 3154449
N-[[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]cyclobutanamine
CID 130608680
N-cyclopropyl-3-[[3-(cyclopropylamino)-3-oxopropyl]amino]propanamide
CID 79394765
N-[[(1R,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]butan-1-amine
CID 98118034
1-[[(2S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-[6-[[(2S)-2-bicyclo[2.2.1]hept-5-enyl]methylcarbamoylamino]hexyl]urea
CID 11835105
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,3-dimethylbutan-1-amine
CID 115685496
2-[2-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]ethoxy]ethanol
CID 124526562
N-cyclopentyl-3-[(4-fluorophenyl)methylamino]propanamide
CID 109013440
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-2-ethoxyethanamine
CID 43778399
N-cyclopropyl-3-[(3-methylcyclopentyl)methylamino]propanamide
CID 107412683
[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl N-[[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methoxycarbonylamino]carbamate
CID 134883298

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]-N-cyclopentylpropanamide?
The IUPAC name of 3-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]-N-cyclopentylpropanamide (CID 98220402) is 3-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]-N-cyclopentylpropanamide.
What is the SMILES notation for 3-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]-N-cyclopentylpropanamide?
The canonical SMILES for 3-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]-N-cyclopentylpropanamide is O=C(CCNC[C@@H]1C[C@H]2C=C[C@H]1C2)NC1CCCC1.
What is the InChIKey of 3-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]-N-cyclopentylpropanamide?
The InChIKey is IPHPHXGCFDNKEX-IHRRRGAJSA-N. The full InChI is InChI=1S/C16H26N2O/c19-16(18-15-3-1-2-4-15)7-8-17-11-14-10-12-5-6-13(14)9-12/h5-6,12-15,17H,1-4,7-11H2,(H,18,19)/t12-,13-,14-/m0/s1.
What are the key properties of 3-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]-N-cyclopentylpropanamide?
3-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]-N-cyclopentylpropanamide has a molecular weight of 262.40 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methylamino]-N-cyclopentylpropanamide is sourced from PubChem (CID 98220402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).