1-(1-methoxycyclobutyl)-N-propylpent-4-yn-2-amine

C13H23NO — CID 103559000

IUPAC1-(1-methoxycyclobutyl)-N-propylpent-4-yn-2-amine
SMILESC#CCC(CC1(OC)CCC1)NCCC
InChIInChI=1S/C13H23NO/c1-4-7-12(14-10-5-2)11-13(15-3)8-6-9-13/h1,12,14H,5-11H2,2-3H3
InChIKeyPIOPCMNCSHNSPT-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.34
Rot. Bonds7

About 1-(1-methoxycyclobutyl)-N-propylpent-4-yn-2-amine

1-(1-methoxycyclobutyl)-N-propylpent-4-yn-2-amine (PubChem CID 103559000) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-(1-methoxycyclobutyl)-N-propylpent-4-yn-2-amine.

Molecular Properties

Compound Name1-(1-methoxycyclobutyl)-N-propylpent-4-yn-2-amine
PubChem CID103559000
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-(1-methoxycyclobutyl)-N-propylpent-4-yn-2-amine
SMILESC#CCC(CC1(OC)CCC1)NCCC
InChIInChI=1S/C13H23NO/c1-4-7-12(14-10-5-2)11-13(15-3)8-6-9-13/h1,12,14H,5-11H2,2-3H3
InChIKeyPIOPCMNCSHNSPT-UHFFFAOYSA-N
XLogP2.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycyclobutyl)-N-propylpent-4-yn-2-amine?
The IUPAC name of 1-(1-methoxycyclobutyl)-N-propylpent-4-yn-2-amine (CID 103559000) is 1-(1-methoxycyclobutyl)-N-propylpent-4-yn-2-amine.
What is the SMILES notation for 1-(1-methoxycyclobutyl)-N-propylpent-4-yn-2-amine?
The canonical SMILES for 1-(1-methoxycyclobutyl)-N-propylpent-4-yn-2-amine is C#CCC(CC1(OC)CCC1)NCCC.
What is the InChIKey of 1-(1-methoxycyclobutyl)-N-propylpent-4-yn-2-amine?
The InChIKey is PIOPCMNCSHNSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-4-7-12(14-10-5-2)11-13(15-3)8-6-9-13/h1,12,14H,5-11H2,2-3H3.
What are the key properties of 1-(1-methoxycyclobutyl)-N-propylpent-4-yn-2-amine?
1-(1-methoxycyclobutyl)-N-propylpent-4-yn-2-amine has a molecular weight of 209.33 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycyclobutyl)-N-propylpent-4-yn-2-amine is sourced from PubChem (CID 103559000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).