5,5-dicyclopropyl-1-methoxypent-3-en-2-amine

C12H21NO — CID 56610246

IUPAC5,5-dicyclopropyl-1-methoxypent-3-en-2-amine
SMILESCOCC(N)C=CC(C1CC1)C1CC1
InChIInChI=1S/C12H21NO/c1-14-8-11(13)6-7-12(9-2-3-9)10-4-5-10/h6-7,9-12H,2-5,8,13H2,1H3
InChIKeyBCBRLRNMLKICFT-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.95
Rot. Bonds6

About 5,5-dicyclopropyl-1-methoxypent-3-en-2-amine

5,5-dicyclopropyl-1-methoxypent-3-en-2-amine (PubChem CID 56610246) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 5,5-dicyclopropyl-1-methoxypent-3-en-2-amine.

Molecular Properties

Compound Name5,5-dicyclopropyl-1-methoxypent-3-en-2-amine
PubChem CID56610246
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name5,5-dicyclopropyl-1-methoxypent-3-en-2-amine
SMILESCOCC(N)C=CC(C1CC1)C1CC1
InChIInChI=1S/C12H21NO/c1-14-8-11(13)6-7-12(9-2-3-9)10-4-5-10/h6-7,9-12H,2-5,8,13H2,1H3
InChIKeyBCBRLRNMLKICFT-UHFFFAOYSA-N
XLogP1.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.95
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 5,5-dicyclopropyl-1-methoxypent-3-en-2-amine?
The IUPAC name of 5,5-dicyclopropyl-1-methoxypent-3-en-2-amine (CID 56610246) is 5,5-dicyclopropyl-1-methoxypent-3-en-2-amine.
What is the SMILES notation for 5,5-dicyclopropyl-1-methoxypent-3-en-2-amine?
The canonical SMILES for 5,5-dicyclopropyl-1-methoxypent-3-en-2-amine is COCC(N)C=CC(C1CC1)C1CC1.
What is the InChIKey of 5,5-dicyclopropyl-1-methoxypent-3-en-2-amine?
The InChIKey is BCBRLRNMLKICFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-14-8-11(13)6-7-12(9-2-3-9)10-4-5-10/h6-7,9-12H,2-5,8,13H2,1H3.
What are the key properties of 5,5-dicyclopropyl-1-methoxypent-3-en-2-amine?
5,5-dicyclopropyl-1-methoxypent-3-en-2-amine has a molecular weight of 195.31 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dicyclopropyl-1-methoxypent-3-en-2-amine is sourced from PubChem (CID 56610246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).