N-[(2-methylcyclopropyl)-(oxolan-3-yl)methyl]ethanamine

C11H21NO — CID 65419974

IUPACN-[(2-methylcyclopropyl)-(oxolan-3-yl)methyl]ethanamine
SMILESCCNC(C1CCOC1)C2CC2C
InChIInChI=1S/C11H21NO/c1-3-12-11(10-6-8(10)2)9-4-5-13-7-9/h8-12H,3-7H2,1-2H3
InChIKeySFYYXRRDKRTLSX-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.70
Rot. Bonds4

About N-[(2-methylcyclopropyl)-(oxolan-3-yl)methyl]ethanamine

N-[(2-methylcyclopropyl)-(oxolan-3-yl)methyl]ethanamine (PubChem CID 65419974) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-[(2-methylcyclopropyl)-(oxolan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-methylcyclopropyl)-(oxolan-3-yl)methyl]ethanamine
PubChem CID65419974
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-[(2-methylcyclopropyl)-(oxolan-3-yl)methyl]ethanamine
SMILESCCNC(C1CCOC1)C2CC2C
InChIInChI=1S/C11H21NO/c1-3-12-11(10-6-8(10)2)9-4-5-13-7-9/h8-12H,3-7H2,1-2H3
InChIKeySFYYXRRDKRTLSX-UHFFFAOYSA-N
XLogP1.70
TPSA21.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity171

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylcyclopropyl)-(oxolan-3-yl)methyl]ethanamine?
The IUPAC name of N-[(2-methylcyclopropyl)-(oxolan-3-yl)methyl]ethanamine (CID 65419974) is N-[(2-methylcyclopropyl)-(oxolan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-methylcyclopropyl)-(oxolan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-methylcyclopropyl)-(oxolan-3-yl)methyl]ethanamine is CCNC(C1CCOC1)C2CC2C.
What is the InChIKey of N-[(2-methylcyclopropyl)-(oxolan-3-yl)methyl]ethanamine?
The InChIKey is SFYYXRRDKRTLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-12-11(10-6-8(10)2)9-4-5-13-7-9/h8-12H,3-7H2,1-2H3.
What are the key properties of N-[(2-methylcyclopropyl)-(oxolan-3-yl)methyl]ethanamine?
N-[(2-methylcyclopropyl)-(oxolan-3-yl)methyl]ethanamine has a molecular weight of 183.29 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylcyclopropyl)-(oxolan-3-yl)methyl]ethanamine is sourced from PubChem (CID 65419974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).