N-[(3-methyl-2-prop-1-enylcyclopropen-1-yl)methyl]oxan-3-amine

C13H21NO — CID 123642066

IUPACN-[(3-methyl-2-prop-1-enylcyclopropen-1-yl)methyl]oxan-3-amine
SMILESCC=CC1=C(CNC2CCCOC2)C1C
InChIInChI=1S/C13H21NO/c1-3-5-12-10(2)13(12)8-14-11-6-4-7-15-9-11/h3,5,10-11,14H,4,6-9H2,1-2H3
InChIKeyUBUQJZNESYWLSO-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.28
Rot. Bonds4

About N-[(3-methyl-2-prop-1-enylcyclopropen-1-yl)methyl]oxan-3-amine

N-[(3-methyl-2-prop-1-enylcyclopropen-1-yl)methyl]oxan-3-amine (PubChem CID 123642066) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[(3-methyl-2-prop-1-enylcyclopropen-1-yl)methyl]oxan-3-amine.

Molecular Properties

Compound NameN-[(3-methyl-2-prop-1-enylcyclopropen-1-yl)methyl]oxan-3-amine
PubChem CID123642066
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-[(3-methyl-2-prop-1-enylcyclopropen-1-yl)methyl]oxan-3-amine
SMILESCC=CC1=C(CNC2CCCOC2)C1C
InChIInChI=1S/C13H21NO/c1-3-5-12-10(2)13(12)8-14-11-6-4-7-15-9-11/h3,5,10-11,14H,4,6-9H2,1-2H3
InChIKeyUBUQJZNESYWLSO-UHFFFAOYSA-N
XLogP2.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(2S,5R)-5-methyl-2-(3-methylcyclohexa-2,4-dien-1-yl)morpholine
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CID 68213224
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CID 89290271
1-cyclohexa-2,4-dien-1-yl-3-ethoxy-N-methylbut-3-en-2-amine
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Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-2-prop-1-enylcyclopropen-1-yl)methyl]oxan-3-amine?
The IUPAC name of N-[(3-methyl-2-prop-1-enylcyclopropen-1-yl)methyl]oxan-3-amine (CID 123642066) is N-[(3-methyl-2-prop-1-enylcyclopropen-1-yl)methyl]oxan-3-amine.
What is the SMILES notation for N-[(3-methyl-2-prop-1-enylcyclopropen-1-yl)methyl]oxan-3-amine?
The canonical SMILES for N-[(3-methyl-2-prop-1-enylcyclopropen-1-yl)methyl]oxan-3-amine is CC=CC1=C(CNC2CCCOC2)C1C.
What is the InChIKey of N-[(3-methyl-2-prop-1-enylcyclopropen-1-yl)methyl]oxan-3-amine?
The InChIKey is UBUQJZNESYWLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-3-5-12-10(2)13(12)8-14-11-6-4-7-15-9-11/h3,5,10-11,14H,4,6-9H2,1-2H3.
What are the key properties of N-[(3-methyl-2-prop-1-enylcyclopropen-1-yl)methyl]oxan-3-amine?
N-[(3-methyl-2-prop-1-enylcyclopropen-1-yl)methyl]oxan-3-amine has a molecular weight of 207.32 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-2-prop-1-enylcyclopropen-1-yl)methyl]oxan-3-amine is sourced from PubChem (CID 123642066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).