3-(oxolan-3-yl)-N-propan-2-ylpropan-1-amine

C10H21NO — CID 64503037

IUPAC3-(oxolan-3-yl)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCC1CCOC1
InChIInChI=1S/C10H21NO/c1-9(2)11-6-3-4-10-5-7-12-8-10/h9-11H,3-8H2,1-2H3
InChIKeyULYBENUVDBUZLU-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.80
Rot. Bonds5

About 3-(oxolan-3-yl)-N-propan-2-ylpropan-1-amine

3-(oxolan-3-yl)-N-propan-2-ylpropan-1-amine (PubChem CID 64503037) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 3-(oxolan-3-yl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(oxolan-3-yl)-N-propan-2-ylpropan-1-amine
PubChem CID64503037
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name3-(oxolan-3-yl)-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCC1CCOC1
InChIInChI=1S/C10H21NO/c1-9(2)11-6-3-4-10-5-7-12-8-10/h9-11H,3-8H2,1-2H3
InChIKeyULYBENUVDBUZLU-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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Related Compounds

N-(oxolan-3-ylmethyl)-N'-propan-2-ylethane-1,2-diamine
CID 62560137
3-methyl-N-[2-(oxolan-3-yl)ethyl]butan-2-amine
CID 104537978
N-[3-(oxolan-3-yl)propyl]cyclopropanamine
CID 64504217
3-(oxolan-3-ylmethoxy)-N-propan-2-ylbutan-1-amine
CID 114999123
3-cyclopentyl-N-(oxolan-3-ylmethyl)propan-1-amine
CID 115887250
N-(1-cyclopentylethyl)-4-(oxan-4-yl)butan-1-amine
CID 114191053
N'-methyl-N'-(oxolan-3-yl)-N-propan-2-ylpentane-1,5-diamine
CID 82754082
CID 88999867
CID 88999867
3-(2-ethylcyclohexyl)-N-propan-2-ylpropan-1-amine
CID 64502569
N-ethyl-N-(oxolan-3-ylmethyl)-3-(propan-2-ylamino)propanamide
CID 54874267
2-methyl-N-[2-(oxolan-3-yl)ethyl]-1-thiophen-2-ylpropan-1-amine
CID 104537883
3-[2-(oxolan-3-yl)ethylamino]-N-propan-2-ylpropanamide
CID 102671535

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-3-yl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(oxolan-3-yl)-N-propan-2-ylpropan-1-amine (CID 64503037) is 3-(oxolan-3-yl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(oxolan-3-yl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(oxolan-3-yl)-N-propan-2-ylpropan-1-amine is CC(C)NCCCC1CCOC1.
What is the InChIKey of 3-(oxolan-3-yl)-N-propan-2-ylpropan-1-amine?
The InChIKey is ULYBENUVDBUZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-9(2)11-6-3-4-10-5-7-12-8-10/h9-11H,3-8H2,1-2H3.
What are the key properties of 3-(oxolan-3-yl)-N-propan-2-ylpropan-1-amine?
3-(oxolan-3-yl)-N-propan-2-ylpropan-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 3-(oxolan-3-yl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 64503037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).