N-[(5-methyloxolan-2-yl)methyl]-4-propan-2-yloxybutan-1-amine

C13H27NO2 — CID 106007697

IUPACN-[(5-methyloxolan-2-yl)methyl]-4-propan-2-yloxybutan-1-amine
SMILESCC(C)OCCCCNCC1CCC(C)O1
InChIInChI=1S/C13H27NO2/c1-11(2)15-9-5-4-8-14-10-13-7-6-12(3)16-13/h11-14H,4-10H2,1-3H3
InChIKeyZBVPDBZMAASKAS-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.35
Rot. Bonds8

About N-[(5-methyloxolan-2-yl)methyl]-4-propan-2-yloxybutan-1-amine

N-[(5-methyloxolan-2-yl)methyl]-4-propan-2-yloxybutan-1-amine (PubChem CID 106007697) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is N-[(5-methyloxolan-2-yl)methyl]-4-propan-2-yloxybutan-1-amine.

Molecular Properties

Compound NameN-[(5-methyloxolan-2-yl)methyl]-4-propan-2-yloxybutan-1-amine
PubChem CID106007697
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC NameN-[(5-methyloxolan-2-yl)methyl]-4-propan-2-yloxybutan-1-amine
SMILESCC(C)OCCCCNCC1CCC(C)O1
InChIInChI=1S/C13H27NO2/c1-11(2)15-9-5-4-8-14-10-13-7-6-12(3)16-13/h11-14H,4-10H2,1-3H3
InChIKeyZBVPDBZMAASKAS-UHFFFAOYSA-N
XLogP2.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-methyloxolan-2-yl)methyl]-3-propan-2-yloxypropan-1-amine
CID 82834516
N'-methyl-N-[(5-methyloxolan-2-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine
CID 106040718
N-[(5-methyloxolan-2-yl)methyl]octan-1-amine
CID 82835383
2-ethoxy-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 82833976
2-cyclopropyl-N-[(5-methyloxolan-2-yl)methyl]ethanamine
CID 82836481
2-[(5-methyloxolan-2-yl)methylamino]ethyl carbamate
CID 83212137
N-[(1-methylpiperidin-3-yl)methyl]-4-propan-2-yloxybutan-1-amine
CID 106007547
N',N'-dimethyl-N-[(5-methyloxolan-2-yl)methyl]ethane-1,2-diamine
CID 82834863
3-methyl-N-[(5-methyloxolan-2-yl)methyl]-2-propan-2-ylbutan-1-amine
CID 102904444
1-methoxy-N-[(5-methyloxolan-2-yl)methyl]propan-2-amine
CID 82833761
2-N,2-N-dimethyl-1-N-[(5-methyloxolan-2-yl)methyl]propane-1,2-diamine
CID 82835760
3-[(5-methyloxolan-2-yl)methylamino]propane-1,2-diol
CID 82835676

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyloxolan-2-yl)methyl]-4-propan-2-yloxybutan-1-amine?
The IUPAC name of N-[(5-methyloxolan-2-yl)methyl]-4-propan-2-yloxybutan-1-amine (CID 106007697) is N-[(5-methyloxolan-2-yl)methyl]-4-propan-2-yloxybutan-1-amine.
What is the SMILES notation for N-[(5-methyloxolan-2-yl)methyl]-4-propan-2-yloxybutan-1-amine?
The canonical SMILES for N-[(5-methyloxolan-2-yl)methyl]-4-propan-2-yloxybutan-1-amine is CC(C)OCCCCNCC1CCC(C)O1.
What is the InChIKey of N-[(5-methyloxolan-2-yl)methyl]-4-propan-2-yloxybutan-1-amine?
The InChIKey is ZBVPDBZMAASKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-11(2)15-9-5-4-8-14-10-13-7-6-12(3)16-13/h11-14H,4-10H2,1-3H3.
What are the key properties of N-[(5-methyloxolan-2-yl)methyl]-4-propan-2-yloxybutan-1-amine?
N-[(5-methyloxolan-2-yl)methyl]-4-propan-2-yloxybutan-1-amine has a molecular weight of 229.36 g/mol, XLogP of 2.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyloxolan-2-yl)methyl]-4-propan-2-yloxybutan-1-amine is sourced from PubChem (CID 106007697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).