N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine

C9H19NO — CID 116521038

IUPACN-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine
SMILESCCNCC1CCC(C)(C)O1
InChIInChI=1S/C9H19NO/c1-4-10-7-8-5-6-9(2,3)11-8/h8,10H,4-7H2,1-3H3
InChIKeyJPBDPFUEAMQAHC-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.55
Rot. Bonds3

About N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine

N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine (PubChem CID 116521038) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine
PubChem CID116521038
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine
SMILESCCNCC1CCC(C)(C)O1
InChIInChI=1S/C9H19NO/c1-4-10-7-8-5-6-9(2,3)11-8/h8,10H,4-7H2,1-3H3
InChIKeyJPBDPFUEAMQAHC-UHFFFAOYSA-N
XLogP1.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine?
The IUPAC name of N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine (CID 116521038) is N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine is CCNCC1CCC(C)(C)O1.
What is the InChIKey of N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine?
The InChIKey is JPBDPFUEAMQAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-10-7-8-5-6-9(2,3)11-8/h8,10H,4-7H2,1-3H3.
What are the key properties of N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine?
N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine has a molecular weight of 157.26 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine is sourced from PubChem (CID 116521038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).