N-[(5-ethyloxolan-3-yl)methyl]propan-1-amine

C10H21NO — CID 90984420

IUPACN-[(5-ethyloxolan-3-yl)methyl]propan-1-amine
SMILESCCCNCC1COC(CC)C1
InChIInChI=1S/C10H21NO/c1-3-5-11-7-9-6-10(4-2)12-8-9/h9-11H,3-8H2,1-2H3
InChIKeyCEZCVHPRGJJBOP-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.80
Rot. Bonds5

About N-[(5-ethyloxolan-3-yl)methyl]propan-1-amine

N-[(5-ethyloxolan-3-yl)methyl]propan-1-amine (PubChem CID 90984420) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-[(5-ethyloxolan-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-ethyloxolan-3-yl)methyl]propan-1-amine
PubChem CID90984420
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-[(5-ethyloxolan-3-yl)methyl]propan-1-amine
SMILESCCCNCC1COC(CC)C1
InChIInChI=1S/C10H21NO/c1-3-5-11-7-9-6-10(4-2)12-8-9/h9-11H,3-8H2,1-2H3
InChIKeyCEZCVHPRGJJBOP-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyloxolan-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(5-ethyloxolan-3-yl)methyl]propan-1-amine (CID 90984420) is N-[(5-ethyloxolan-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-ethyloxolan-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-ethyloxolan-3-yl)methyl]propan-1-amine is CCCNCC1COC(CC)C1.
What is the InChIKey of N-[(5-ethyloxolan-3-yl)methyl]propan-1-amine?
The InChIKey is CEZCVHPRGJJBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-3-5-11-7-9-6-10(4-2)12-8-9/h9-11H,3-8H2,1-2H3.
What are the key properties of N-[(5-ethyloxolan-3-yl)methyl]propan-1-amine?
N-[(5-ethyloxolan-3-yl)methyl]propan-1-amine has a molecular weight of 171.28 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyloxolan-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 90984420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).