N-(1-methoxyhexan-2-yl)cyclopent-3-en-1-amine

C12H23NO — CID 115728475

IUPACN-(1-methoxyhexan-2-yl)cyclopent-3-en-1-amine
SMILESCCCCC(COC)NC1CC=CC1
InChIInChI=1S/C12H23NO/c1-3-4-7-12(10-14-2)13-11-8-5-6-9-11/h5-6,11-13H,3-4,7-10H2,1-2H3
InChIKeyQUQCXXUQBARNRV-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.50
Rot. Bonds7

About N-(1-methoxyhexan-2-yl)cyclopent-3-en-1-amine

N-(1-methoxyhexan-2-yl)cyclopent-3-en-1-amine (PubChem CID 115728475) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-(1-methoxyhexan-2-yl)cyclopent-3-en-1-amine.

Molecular Properties

Compound NameN-(1-methoxyhexan-2-yl)cyclopent-3-en-1-amine
PubChem CID115728475
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-(1-methoxyhexan-2-yl)cyclopent-3-en-1-amine
SMILESCCCCC(COC)NC1CC=CC1
InChIInChI=1S/C12H23NO/c1-3-4-7-12(10-14-2)13-11-8-5-6-9-11/h5-6,11-13H,3-4,7-10H2,1-2H3
InChIKeyQUQCXXUQBARNRV-UHFFFAOYSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)icosa-5,8,11,14-tetraen-1-amine
CID 49824017
N-ethyl-1-(2,2,2-trifluoroethoxy)hept-6-en-2-amine
CID 103215432
N-propyl-1-(2,2,2-trifluoroethoxy)hept-6-en-2-amine
CID 113789325
(2S)-2-[[(E)-octadec-9-enoxy]methyl]pyrrolidine
CID 145947547
(2S)-2-[[(Z)-octadec-9-enoxy]methyl]pyrrolidine
CID 145948072
(2R,12Z,15Z)-1-hexoxy-N-methylhenicosa-12,15-dien-2-amine
CID 88559669
(2R,12Z,15Z)-1-hexadecoxy-N-methylhenicosa-12,15-dien-2-amine
CID 88559670
(Z)-N-(1-methoxybutan-2-yl)pent-3-en-1-amine
CID 88943258
(2S)-N-methyl-1-[(9Z,12Z)-octadeca-9,12-dienoxy]undecan-2-amine
CID 89850546
1-hexoxy-N-methylhenicos-12-en-2-amine
CID 123678312
N-cyclohex-3-en-1-yloxetan-3-amine;ethane
CID 145406279
2-[(4Z,7Z,10Z,13Z,16Z)-nonadeca-4,7,10,13,16-pentaenyl]-N-propan-2-yloxiran-2-amine
CID 145665633

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxyhexan-2-yl)cyclopent-3-en-1-amine?
The IUPAC name of N-(1-methoxyhexan-2-yl)cyclopent-3-en-1-amine (CID 115728475) is N-(1-methoxyhexan-2-yl)cyclopent-3-en-1-amine.
What is the SMILES notation for N-(1-methoxyhexan-2-yl)cyclopent-3-en-1-amine?
The canonical SMILES for N-(1-methoxyhexan-2-yl)cyclopent-3-en-1-amine is CCCCC(COC)NC1CC=CC1.
What is the InChIKey of N-(1-methoxyhexan-2-yl)cyclopent-3-en-1-amine?
The InChIKey is QUQCXXUQBARNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-4-7-12(10-14-2)13-11-8-5-6-9-11/h5-6,11-13H,3-4,7-10H2,1-2H3.
What are the key properties of N-(1-methoxyhexan-2-yl)cyclopent-3-en-1-amine?
N-(1-methoxyhexan-2-yl)cyclopent-3-en-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxyhexan-2-yl)cyclopent-3-en-1-amine is sourced from PubChem (CID 115728475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).