N-[3-(5,5-dimethyloxolan-2-yl)propyl]-2-methylpropan-1-amine

C13H27NO — CID 116523545

IUPACN-[3-(5,5-dimethyloxolan-2-yl)propyl]-2-methylpropan-1-amine
SMILESCC(C)CNCCCC1CCC(C)(C)O1
InChIInChI=1S/C13H27NO/c1-11(2)10-14-9-5-6-12-7-8-13(3,4)15-12/h11-12,14H,5-10H2,1-4H3
InChIKeyAIQYJSSVOQKJHL-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.97
Rot. Bonds6

About N-[3-(5,5-dimethyloxolan-2-yl)propyl]-2-methylpropan-1-amine

N-[3-(5,5-dimethyloxolan-2-yl)propyl]-2-methylpropan-1-amine (PubChem CID 116523545) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-[3-(5,5-dimethyloxolan-2-yl)propyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[3-(5,5-dimethyloxolan-2-yl)propyl]-2-methylpropan-1-amine
PubChem CID116523545
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-[3-(5,5-dimethyloxolan-2-yl)propyl]-2-methylpropan-1-amine
SMILESCC(C)CNCCCC1CCC(C)(C)O1
InChIInChI=1S/C13H27NO/c1-11(2)10-14-9-5-6-12-7-8-13(3,4)15-12/h11-12,14H,5-10H2,1-4H3
InChIKeyAIQYJSSVOQKJHL-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.97
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

4-(5,5-dimethyloxolan-2-yl)-N-propan-2-ylbutan-1-amine
CID 116524277
2-methyl-N-[3-(oxiran-2-yl)propyl]propan-1-amine
CID 142537270
5-(4-bromopentyl)-2,2-dimethyloxolane
CID 116524361
3-(5,5-dimethyloxolan-2-yl)propan-1-ol
CID 116523847
4-(5,5-dimethyloxolan-2-yl)butan-1-ol
CID 116524331
4-(5,5-dimethyloxolan-2-yl)-N-methylbutan-2-amine
CID 116522565
4-(5,5-dimethyloxolan-2-yl)-N-propylbutan-2-amine
CID 116522567
5-(3-bromo-4-methylpentyl)-2,2-dimethyloxolane
CID 116523355
N'-[(5,5-dimethyloxolan-2-yl)methyl]ethane-1,2-diamine
CID 116521389
1-(5,5-dimethyloxolan-2-yl)-3-(propylamino)propan-2-ol
CID 116525058
5-(4-chlorohexyl)-2,2-dimethyloxolane
CID 116524355
1-(5,5-dimethyloxolan-2-yl)-4-methyl-N-propylpentan-3-amine
CID 116522578

Frequently Asked Questions

What is the IUPAC name of N-[3-(5,5-dimethyloxolan-2-yl)propyl]-2-methylpropan-1-amine?
The IUPAC name of N-[3-(5,5-dimethyloxolan-2-yl)propyl]-2-methylpropan-1-amine (CID 116523545) is N-[3-(5,5-dimethyloxolan-2-yl)propyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[3-(5,5-dimethyloxolan-2-yl)propyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[3-(5,5-dimethyloxolan-2-yl)propyl]-2-methylpropan-1-amine is CC(C)CNCCCC1CCC(C)(C)O1.
What is the InChIKey of N-[3-(5,5-dimethyloxolan-2-yl)propyl]-2-methylpropan-1-amine?
The InChIKey is AIQYJSSVOQKJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-11(2)10-14-9-5-6-12-7-8-13(3,4)15-12/h11-12,14H,5-10H2,1-4H3.
What are the key properties of N-[3-(5,5-dimethyloxolan-2-yl)propyl]-2-methylpropan-1-amine?
N-[3-(5,5-dimethyloxolan-2-yl)propyl]-2-methylpropan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5,5-dimethyloxolan-2-yl)propyl]-2-methylpropan-1-amine is sourced from PubChem (CID 116523545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).