5-(oxolan-2-yl)-N-propan-2-ylpentan-1-amine

C12H25NO — CID 65166491

IUPAC5-(oxolan-2-yl)-N-propan-2-ylpentan-1-amine
SMILESCC(C)NCCCCCC1CCCO1
InChIInChI=1S/C12H25NO/c1-11(2)13-9-5-3-4-7-12-8-6-10-14-12/h11-13H,3-10H2,1-2H3
InChIKeyVVWCFRFCVCQTLS-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.72
Rot. Bonds7

About 5-(oxolan-2-yl)-N-propan-2-ylpentan-1-amine

5-(oxolan-2-yl)-N-propan-2-ylpentan-1-amine (PubChem CID 65166491) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 5-(oxolan-2-yl)-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name5-(oxolan-2-yl)-N-propan-2-ylpentan-1-amine
PubChem CID65166491
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name5-(oxolan-2-yl)-N-propan-2-ylpentan-1-amine
SMILESCC(C)NCCCCCC1CCCO1
InChIInChI=1S/C12H25NO/c1-11(2)13-9-5-3-4-7-12-8-6-10-14-12/h11-13H,3-10H2,1-2H3
InChIKeyVVWCFRFCVCQTLS-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.72
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

(2R)-2-N-[3-(oxolan-2-yl)propyl]propane-1,2-diamine
CID 104868334
N-[(1R)-1-cyclohexylethyl]-3-(oxolan-2-yl)propan-1-amine
CID 81385044
N-(dicyclopropylmethyl)-3-(oxolan-2-yl)propan-1-amine
CID 65163624
2-tetradecyloxolane
CID 10683364
3-(oxolan-2-ylmethylsulfanyl)-N-propan-2-ylpropan-1-amine
CID 106495335
N-[[2-[3-(oxolan-2-yl)propyl]cyclobutyl]methyl]propan-2-amine
CID 81017533
4-(oxolan-2-ylmethylsulfonyl)-N-propan-2-ylbutan-1-amine
CID 106513606
2-(6-bromo-7-methyloctyl)oxolane
CID 65165254
N-[[2-[3-(oxolan-2-yl)propyl]cyclohexyl]methyl]propan-2-amine
CID 81024162
N-[3-(oxolan-2-yl)propyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 65163462
1-cyclopropyl-N-[3-(oxan-2-yl)propyl]propan-2-amine
CID 104629286
3-(oxolan-2-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]propan-1-amine
CID 65161041

Frequently Asked Questions

What is the IUPAC name of 5-(oxolan-2-yl)-N-propan-2-ylpentan-1-amine?
The IUPAC name of 5-(oxolan-2-yl)-N-propan-2-ylpentan-1-amine (CID 65166491) is 5-(oxolan-2-yl)-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 5-(oxolan-2-yl)-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 5-(oxolan-2-yl)-N-propan-2-ylpentan-1-amine is CC(C)NCCCCCC1CCCO1.
What is the InChIKey of 5-(oxolan-2-yl)-N-propan-2-ylpentan-1-amine?
The InChIKey is VVWCFRFCVCQTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-11(2)13-9-5-3-4-7-12-8-6-10-14-12/h11-13H,3-10H2,1-2H3.
What are the key properties of 5-(oxolan-2-yl)-N-propan-2-ylpentan-1-amine?
5-(oxolan-2-yl)-N-propan-2-ylpentan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxolan-2-yl)-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 65166491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).