1-methoxy-5-(1-propan-2-ylcyclopropyl)pent-3-en-2-amine

C12H23NO — CID 57014430

IUPAC1-methoxy-5-(1-propan-2-ylcyclopropyl)pent-3-en-2-amine
SMILESCOCC(N)C=CCC1(C(C)C)CC1
InChIInChI=1S/C12H23NO/c1-10(2)12(7-8-12)6-4-5-11(13)9-14-3/h4-5,10-11H,6-9,13H2,1-3H3
InChIKeyIGPIHTMGSJDMAV-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.34
Rot. Bonds6

About 1-methoxy-5-(1-propan-2-ylcyclopropyl)pent-3-en-2-amine

1-methoxy-5-(1-propan-2-ylcyclopropyl)pent-3-en-2-amine (PubChem CID 57014430) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-methoxy-5-(1-propan-2-ylcyclopropyl)pent-3-en-2-amine.

Molecular Properties

Compound Name1-methoxy-5-(1-propan-2-ylcyclopropyl)pent-3-en-2-amine
PubChem CID57014430
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-methoxy-5-(1-propan-2-ylcyclopropyl)pent-3-en-2-amine
SMILESCOCC(N)C=CCC1(C(C)C)CC1
InChIInChI=1S/C12H23NO/c1-10(2)12(7-8-12)6-4-5-11(13)9-14-3/h4-5,10-11H,6-9,13H2,1-3H3
InChIKeyIGPIHTMGSJDMAV-UHFFFAOYSA-N
XLogP2.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-5-(1-propan-2-ylcyclopropyl)pent-3-en-2-amine?
The IUPAC name of 1-methoxy-5-(1-propan-2-ylcyclopropyl)pent-3-en-2-amine (CID 57014430) is 1-methoxy-5-(1-propan-2-ylcyclopropyl)pent-3-en-2-amine.
What is the SMILES notation for 1-methoxy-5-(1-propan-2-ylcyclopropyl)pent-3-en-2-amine?
The canonical SMILES for 1-methoxy-5-(1-propan-2-ylcyclopropyl)pent-3-en-2-amine is COCC(N)C=CCC1(C(C)C)CC1.
What is the InChIKey of 1-methoxy-5-(1-propan-2-ylcyclopropyl)pent-3-en-2-amine?
The InChIKey is IGPIHTMGSJDMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10(2)12(7-8-12)6-4-5-11(13)9-14-3/h4-5,10-11H,6-9,13H2,1-3H3.
What are the key properties of 1-methoxy-5-(1-propan-2-ylcyclopropyl)pent-3-en-2-amine?
1-methoxy-5-(1-propan-2-ylcyclopropyl)pent-3-en-2-amine has a molecular weight of 197.32 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-5-(1-propan-2-ylcyclopropyl)pent-3-en-2-amine is sourced from PubChem (CID 57014430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).