3-(3-methoxypropoxy)-N-(2-methylpropyl)butan-1-amine

C12H27NO2 — CID 115001737

IUPAC3-(3-methoxypropoxy)-N-(2-methylpropyl)butan-1-amine
SMILESCOCCCOC(C)CCNCC(C)C
InChIInChI=1S/C12H27NO2/c1-11(2)10-13-7-6-12(3)15-9-5-8-14-4/h11-13H,5-10H2,1-4H3
InChIKeyYTLDUGOWHVWDNT-UHFFFAOYSA-N
MW217.35 g/mol
LogP2.06
Rot. Bonds10

About 3-(3-methoxypropoxy)-N-(2-methylpropyl)butan-1-amine

3-(3-methoxypropoxy)-N-(2-methylpropyl)butan-1-amine (PubChem CID 115001737) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 3-(3-methoxypropoxy)-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name3-(3-methoxypropoxy)-N-(2-methylpropyl)butan-1-amine
PubChem CID115001737
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name3-(3-methoxypropoxy)-N-(2-methylpropyl)butan-1-amine
SMILESCOCCCOC(C)CCNCC(C)C
InChIInChI=1S/C12H27NO2/c1-11(2)10-13-7-6-12(3)15-9-5-8-14-4/h11-13H,5-10H2,1-4H3
InChIKeyYTLDUGOWHVWDNT-UHFFFAOYSA-N
XLogP2.06
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 52.06
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

7-methoxy-N-(2-methylpropyl)heptan-1-amine
CID 104650031
3-(2-butoxyethoxy)-N-(2-methylpropyl)butan-1-amine
CID 115002619
N-(3-butan-2-yloxypropyl)-2-methylpropan-1-amine
CID 62453800
6-[2-(3-methoxypropoxy)ethoxy]-N-(2-methylpropyl)hexan-1-amine
CID 103181280
N-(2-methoxyethyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 62570429
N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]propyl]-3-methylbutan-1-amine
CID 104567163
N-(2-methylpropyl)-4-(4,4,4-trifluorobutoxy)pentan-1-amine
CID 82793365
2-heptoxy-N-(3-methoxypropyl)propan-1-amine
CID 62597976
N,N'-bis[2-(2-methoxyethoxy)propyl]ethane-1,2-diamine
CID 58589932
N-[3-[2-(2-methoxyethoxy)ethoxy]propyl]-2-methylpropan-1-amine
CID 104560835
N-[4-(3-methoxypropoxy)pentyl]cyclopropanamine
CID 62440729
4-[2-[di(propan-2-yl)amino]ethoxy]-N-(2-methylpropyl)pentan-1-amine
CID 115505891

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropoxy)-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 3-(3-methoxypropoxy)-N-(2-methylpropyl)butan-1-amine (CID 115001737) is 3-(3-methoxypropoxy)-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 3-(3-methoxypropoxy)-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 3-(3-methoxypropoxy)-N-(2-methylpropyl)butan-1-amine is COCCCOC(C)CCNCC(C)C.
What is the InChIKey of 3-(3-methoxypropoxy)-N-(2-methylpropyl)butan-1-amine?
The InChIKey is YTLDUGOWHVWDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-11(2)10-13-7-6-12(3)15-9-5-8-14-4/h11-13H,5-10H2,1-4H3.
What are the key properties of 3-(3-methoxypropoxy)-N-(2-methylpropyl)butan-1-amine?
3-(3-methoxypropoxy)-N-(2-methylpropyl)butan-1-amine has a molecular weight of 217.35 g/mol, XLogP of 2.06, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropoxy)-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 115001737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).