N-[(2S)-3-methoxypent-4-en-2-yl]cyclobutanamine

C10H19NO — CID 162456044

IUPACN-[(2S)-3-methoxypent-4-en-2-yl]cyclobutanamine
SMILESC=CC(OC)[C@H](C)NC1CCC1
InChIInChI=1S/C10H19NO/c1-4-10(12-3)8(2)11-9-6-5-7-9/h4,8-11H,1,5-7H2,2-3H3/t8-,10?/m0/s1
InChIKeyZPLVZVCBLLMGBY-PEHGTWAWSA-N
MW169.27 g/mol
LogP1.72
Rot. Bonds5

About N-[(2S)-3-methoxypent-4-en-2-yl]cyclobutanamine

N-[(2S)-3-methoxypent-4-en-2-yl]cyclobutanamine (PubChem CID 162456044) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is N-[(2S)-3-methoxypent-4-en-2-yl]cyclobutanamine.

Molecular Properties

Compound NameN-[(2S)-3-methoxypent-4-en-2-yl]cyclobutanamine
PubChem CID162456044
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC NameN-[(2S)-3-methoxypent-4-en-2-yl]cyclobutanamine
SMILESC=CC(OC)[C@H](C)NC1CCC1
InChIInChI=1S/C10H19NO/c1-4-10(12-3)8(2)11-9-6-5-7-9/h4,8-11H,1,5-7H2,2-3H3/t8-,10?/m0/s1
InChIKeyZPLVZVCBLLMGBY-PEHGTWAWSA-N
XLogP1.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.72
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 N-[(2S)-3-methoxypent-4-en-2-yl]cyclobutanamine?
The IUPAC name of N-[(2S)-3-methoxypent-4-en-2-yl]cyclobutanamine (CID 162456044) is N-[(2S)-3-methoxypent-4-en-2-yl]cyclobutanamine.
What is the SMILES notation for N-[(2S)-3-methoxypent-4-en-2-yl]cyclobutanamine?
The canonical SMILES for N-[(2S)-3-methoxypent-4-en-2-yl]cyclobutanamine is C=CC(OC)[C@H](C)NC1CCC1.
What is the InChIKey of N-[(2S)-3-methoxypent-4-en-2-yl]cyclobutanamine?
The InChIKey is ZPLVZVCBLLMGBY-PEHGTWAWSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-10(12-3)8(2)11-9-6-5-7-9/h4,8-11H,1,5-7H2,2-3H3/t8-,10?/m0/s1.
What are the key properties of N-[(2S)-3-methoxypent-4-en-2-yl]cyclobutanamine?
N-[(2S)-3-methoxypent-4-en-2-yl]cyclobutanamine has a molecular weight of 169.27 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-methoxypent-4-en-2-yl]cyclobutanamine is sourced from PubChem (CID 162456044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).