3-(3-methoxy-3-methylbutyl)cyclopent-2-en-1-amine

C11H21NO — CID 103037571

IUPAC3-(3-methoxy-3-methylbutyl)cyclopent-2-en-1-amine
SMILESCOC(C)(C)CCC1=CC(N)CC1
InChIInChI=1S/C11H21NO/c1-11(2,13-3)7-6-9-4-5-10(12)8-9/h8,10H,4-7,12H2,1-3H3
InChIKeyXUPOCNCDRNDGFD-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.24
Rot. Bonds4

About 3-(3-methoxy-3-methylbutyl)cyclopent-2-en-1-amine

3-(3-methoxy-3-methylbutyl)cyclopent-2-en-1-amine (PubChem CID 103037571) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3-(3-methoxy-3-methylbutyl)cyclopent-2-en-1-amine.

Molecular Properties

Compound Name3-(3-methoxy-3-methylbutyl)cyclopent-2-en-1-amine
PubChem CID103037571
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3-(3-methoxy-3-methylbutyl)cyclopent-2-en-1-amine
SMILESCOC(C)(C)CCC1=CC(N)CC1
InChIInChI=1S/C11H21NO/c1-11(2,13-3)7-6-9-4-5-10(12)8-9/h8,10H,4-7,12H2,1-3H3
InChIKeyXUPOCNCDRNDGFD-UHFFFAOYSA-N
XLogP2.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.24
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

(1S)-4-(2-methoxyprop-2-enyl)-1,2,3,4-tetrahydropentalen-1-amine;molecular hydrogen
CID 143343498
(2S)-1-(cyclopenten-1-yl)-3-[(2R)-2-methyloxiran-2-yl]propan-2-amine
CID 150212700
3-(1-Methoxypropan-2-yl)cyclohex-2-en-1-amine
CID 65171654
3-(3-Methoxypropyl)cyclohex-2-en-1-amine
CID 65171746
3-(Oxan-4-ylmethyl)cyclopent-2-en-1-amine
CID 65174465
3-(Oxan-4-yl)cyclopent-2-en-1-amine
CID 65174636
3-(1-Methoxypropan-2-yl)cyclopent-2-en-1-amine
CID 65174877
3-(3-Methoxypropyl)cyclopent-2-en-1-amine
CID 65174931
5,5-Dimethyl-3-[2-(oxolan-2-yl)ethyl]cyclohex-2-en-1-amine
CID 65176858
3-(3-Methoxypropyl)-5,5-dimethylcyclohex-2-en-1-amine
CID 65176912
5,5-Dimethyl-3-[3-(oxolan-2-yl)propyl]cyclohex-2-en-1-amine
CID 65177254
3-(3-Ethoxypropyl)cyclohex-2-en-1-amine
CID 65178069

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-3-methylbutyl)cyclopent-2-en-1-amine?
The IUPAC name of 3-(3-methoxy-3-methylbutyl)cyclopent-2-en-1-amine (CID 103037571) is 3-(3-methoxy-3-methylbutyl)cyclopent-2-en-1-amine.
What is the SMILES notation for 3-(3-methoxy-3-methylbutyl)cyclopent-2-en-1-amine?
The canonical SMILES for 3-(3-methoxy-3-methylbutyl)cyclopent-2-en-1-amine is COC(C)(C)CCC1=CC(N)CC1.
What is the InChIKey of 3-(3-methoxy-3-methylbutyl)cyclopent-2-en-1-amine?
The InChIKey is XUPOCNCDRNDGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-11(2,13-3)7-6-9-4-5-10(12)8-9/h8,10H,4-7,12H2,1-3H3.
What are the key properties of 3-(3-methoxy-3-methylbutyl)cyclopent-2-en-1-amine?
3-(3-methoxy-3-methylbutyl)cyclopent-2-en-1-amine has a molecular weight of 183.29 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-3-methylbutyl)cyclopent-2-en-1-amine is sourced from PubChem (CID 103037571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).