5,5-dicyclopropyl-4-methoxypent-2-en-3-amine

C12H21NO — CID 70462116

IUPAC5,5-dicyclopropyl-4-methoxypent-2-en-3-amine
SMILESCC=C(N)C(OC)C(C1CC1)C1CC1
InChIInChI=1S/C12H21NO/c1-3-10(13)12(14-2)11(8-4-5-8)9-6-7-9/h3,8-9,11-12H,4-7,13H2,1-2H3
InChIKeyOIXBOMDCUJTRMY-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.30
Rot. Bonds5

About 5,5-dicyclopropyl-4-methoxypent-2-en-3-amine

5,5-dicyclopropyl-4-methoxypent-2-en-3-amine (PubChem CID 70462116) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 5,5-dicyclopropyl-4-methoxypent-2-en-3-amine.

Molecular Properties

Compound Name5,5-dicyclopropyl-4-methoxypent-2-en-3-amine
PubChem CID70462116
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name5,5-dicyclopropyl-4-methoxypent-2-en-3-amine
SMILESCC=C(N)C(OC)C(C1CC1)C1CC1
InChIInChI=1S/C12H21NO/c1-3-10(13)12(14-2)11(8-4-5-8)9-6-7-9/h3,8-9,11-12H,4-7,13H2,1-2H3
InChIKeyOIXBOMDCUJTRMY-UHFFFAOYSA-N
XLogP2.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-dicyclopropyl-4-methoxypent-2-en-3-amine?
The IUPAC name of 5,5-dicyclopropyl-4-methoxypent-2-en-3-amine (CID 70462116) is 5,5-dicyclopropyl-4-methoxypent-2-en-3-amine.
What is the SMILES notation for 5,5-dicyclopropyl-4-methoxypent-2-en-3-amine?
The canonical SMILES for 5,5-dicyclopropyl-4-methoxypent-2-en-3-amine is CC=C(N)C(OC)C(C1CC1)C1CC1.
What is the InChIKey of 5,5-dicyclopropyl-4-methoxypent-2-en-3-amine?
The InChIKey is OIXBOMDCUJTRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-3-10(13)12(14-2)11(8-4-5-8)9-6-7-9/h3,8-9,11-12H,4-7,13H2,1-2H3.
What are the key properties of 5,5-dicyclopropyl-4-methoxypent-2-en-3-amine?
5,5-dicyclopropyl-4-methoxypent-2-en-3-amine has a molecular weight of 195.31 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dicyclopropyl-4-methoxypent-2-en-3-amine is sourced from PubChem (CID 70462116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).