N-[(1S,4R)-4-propan-2-ylcyclopent-2-en-1-yl]oxan-4-amine

C13H23NO — CID 71069597

IUPACN-[(1S,4R)-4-propan-2-ylcyclopent-2-en-1-yl]oxan-4-amine
SMILESCC(C)[C@@H]1C=C[C@@H](NC2CCOCC2)C1
InChIInChI=1S/C13H23NO/c1-10(2)11-3-4-13(9-11)14-12-5-7-15-8-6-12/h3-4,10-14H,5-9H2,1-2H3/t11-,13-/m1/s1
InChIKeyBTTAVBFUCAKLRP-DGCLKSJQSA-N
MW209.33 g/mol
LogP2.36
Rot. Bonds3

About N-[(1S,4R)-4-propan-2-ylcyclopent-2-en-1-yl]oxan-4-amine

N-[(1S,4R)-4-propan-2-ylcyclopent-2-en-1-yl]oxan-4-amine (PubChem CID 71069597) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-[(1S,4R)-4-propan-2-ylcyclopent-2-en-1-yl]oxan-4-amine.

Molecular Properties

Compound NameN-[(1S,4R)-4-propan-2-ylcyclopent-2-en-1-yl]oxan-4-amine
PubChem CID71069597
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-[(1S,4R)-4-propan-2-ylcyclopent-2-en-1-yl]oxan-4-amine
SMILESCC(C)[C@@H]1C=C[C@@H](NC2CCOCC2)C1
InChIInChI=1S/C13H23NO/c1-10(2)11-3-4-13(9-11)14-12-5-7-15-8-6-12/h3-4,10-14H,5-9H2,1-2H3/t11-,13-/m1/s1
InChIKeyBTTAVBFUCAKLRP-DGCLKSJQSA-N
XLogP2.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(1S,4R)-4-propan-2-ylcyclopent-2-en-1-yl]oxan-4-amine with MolForge

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Related Compounds

(6R,11R)-11-methyl-9-oxa-1-azaspiro[5.5]undec-3-ene
CID 122597382
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CID 123759937
1-(2-methylpropyl)-1-N-(oxan-4-yl)cyclohexa-3,5-diene-1,2-diamine
CID 150689047
Ethane;4-ethyl-8-oxa-1-azaspiro[4.5]dec-3-ene
CID 153621753
4-Propan-2-yl-8-oxa-1-azaspiro[4.5]dec-3-ene
CID 154952980
2-[(E)-but-1-enyl]-4-(methoxymethyl)pyrrolidine
CID 164922064
2-(Oxolan-3-yl)-1,2,3,6-tetrahydropyridine
CID 173551440
chromium;(2S,3R)-3-methyl-2-(3-methylbenzene-2-id-1-yl)pyrrolidine;4-methyloxane
CID 177146483
chromium;(2S,3R)-3-methyl-2-(3-methylbenzene-2-id-1-yl)pyrrolidine;3-methyloxane
CID 177146506
N-(cyclohexa-1,5-dien-1-ylmethyl)-3-ethyloxan-4-amine;molecular hydrogen
CID 178769347
N-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-methoxypropan-1-amine
CID 28674377
N-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-methoxypropan-1-amine
CID 28674381

Frequently Asked Questions

What is the IUPAC name of N-[(1S,4R)-4-propan-2-ylcyclopent-2-en-1-yl]oxan-4-amine?
The IUPAC name of N-[(1S,4R)-4-propan-2-ylcyclopent-2-en-1-yl]oxan-4-amine (CID 71069597) is N-[(1S,4R)-4-propan-2-ylcyclopent-2-en-1-yl]oxan-4-amine.
What is the SMILES notation for N-[(1S,4R)-4-propan-2-ylcyclopent-2-en-1-yl]oxan-4-amine?
The canonical SMILES for N-[(1S,4R)-4-propan-2-ylcyclopent-2-en-1-yl]oxan-4-amine is CC(C)[C@@H]1C=C[C@@H](NC2CCOCC2)C1.
What is the InChIKey of N-[(1S,4R)-4-propan-2-ylcyclopent-2-en-1-yl]oxan-4-amine?
The InChIKey is BTTAVBFUCAKLRP-DGCLKSJQSA-N. The full InChI is InChI=1S/C13H23NO/c1-10(2)11-3-4-13(9-11)14-12-5-7-15-8-6-12/h3-4,10-14H,5-9H2,1-2H3/t11-,13-/m1/s1.
What are the key properties of N-[(1S,4R)-4-propan-2-ylcyclopent-2-en-1-yl]oxan-4-amine?
N-[(1S,4R)-4-propan-2-ylcyclopent-2-en-1-yl]oxan-4-amine has a molecular weight of 209.33 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,4R)-4-propan-2-ylcyclopent-2-en-1-yl]oxan-4-amine is sourced from PubChem (CID 71069597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).