1-(1-methylcyclopropyl)-N-(oxolan-3-ylmethyl)ethanamine

C11H21NO — CID 60920455

IUPAC1-(1-methylcyclopropyl)-N-(oxolan-3-ylmethyl)ethanamine
SMILESCC(NCC1CCOC1)C1(C)CC1
InChIInChI=1S/C11H21NO/c1-9(11(2)4-5-11)12-7-10-3-6-13-8-10/h9-10,12H,3-8H2,1-2H3
InChIKeyBNVMKDLQZADLRJ-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.80
Rot. Bonds4

About 1-(1-methylcyclopropyl)-N-(oxolan-3-ylmethyl)ethanamine

1-(1-methylcyclopropyl)-N-(oxolan-3-ylmethyl)ethanamine (PubChem CID 60920455) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-(1-methylcyclopropyl)-N-(oxolan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(1-methylcyclopropyl)-N-(oxolan-3-ylmethyl)ethanamine
PubChem CID60920455
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-(1-methylcyclopropyl)-N-(oxolan-3-ylmethyl)ethanamine
SMILESCC(NCC1CCOC1)C1(C)CC1
InChIInChI=1S/C11H21NO/c1-9(11(2)4-5-11)12-7-10-3-6-13-8-10/h9-10,12H,3-8H2,1-2H3
InChIKeyBNVMKDLQZADLRJ-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclopropyl)-N-(oxolan-3-ylmethyl)ethanamine?
The IUPAC name of 1-(1-methylcyclopropyl)-N-(oxolan-3-ylmethyl)ethanamine (CID 60920455) is 1-(1-methylcyclopropyl)-N-(oxolan-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-(1-methylcyclopropyl)-N-(oxolan-3-ylmethyl)ethanamine?
The canonical SMILES for 1-(1-methylcyclopropyl)-N-(oxolan-3-ylmethyl)ethanamine is CC(NCC1CCOC1)C1(C)CC1.
What is the InChIKey of 1-(1-methylcyclopropyl)-N-(oxolan-3-ylmethyl)ethanamine?
The InChIKey is BNVMKDLQZADLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9(11(2)4-5-11)12-7-10-3-6-13-8-10/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 1-(1-methylcyclopropyl)-N-(oxolan-3-ylmethyl)ethanamine?
1-(1-methylcyclopropyl)-N-(oxolan-3-ylmethyl)ethanamine has a molecular weight of 183.29 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclopropyl)-N-(oxolan-3-ylmethyl)ethanamine is sourced from PubChem (CID 60920455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).