N-[2-(3-methoxy-3-methylbutoxy)propyl]butan-1-amine

C13H29NO2 — CID 106668220

IUPACN-[2-(3-methoxy-3-methylbutoxy)propyl]butan-1-amine
SMILESCCCCNCC(C)OCCC(C)(C)OC
InChIInChI=1S/C13H29NO2/c1-6-7-9-14-11-12(2)16-10-8-13(3,4)15-5/h12,14H,6-11H2,1-5H3
InChIKeyYNCUBQATIAMRDY-UHFFFAOYSA-N
MW231.38 g/mol
LogP2.60
Rot. Bonds10

About N-[2-(3-methoxy-3-methylbutoxy)propyl]butan-1-amine

N-[2-(3-methoxy-3-methylbutoxy)propyl]butan-1-amine (PubChem CID 106668220) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is N-[2-(3-methoxy-3-methylbutoxy)propyl]butan-1-amine.

Molecular Properties

Compound NameN-[2-(3-methoxy-3-methylbutoxy)propyl]butan-1-amine
PubChem CID106668220
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC NameN-[2-(3-methoxy-3-methylbutoxy)propyl]butan-1-amine
SMILESCCCCNCC(C)OCCC(C)(C)OC
InChIInChI=1S/C13H29NO2/c1-6-7-9-14-11-12(2)16-10-8-13(3,4)15-5/h12,14H,6-11H2,1-5H3
InChIKeyYNCUBQATIAMRDY-UHFFFAOYSA-N
XLogP2.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 52.60
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-(3-ethoxypropyl)-2-(3-methoxy-3-methylbutoxy)propan-1-amine
CID 106668147
N-(2-propoxypropyl)butan-1-amine
CID 62583755
N-(2-hexoxypropyl)butan-1-amine
CID 62599346
N-[2-(3,3,3-trifluoropropoxy)propyl]pentan-1-amine
CID 82959356
N-[2-(3-methoxy-3-methylbutoxy)ethyl]butan-1-amine
CID 106668200
N-[2-[2-(2-methylpropoxy)ethoxy]propyl]butan-1-amine
CID 106450242
2-heptoxy-N-(3-methoxypropyl)propan-1-amine
CID 62597976
N-[2-(2,2,2-trifluoroethoxy)propyl]butan-1-amine
CID 62567250
N-[2-(2-ethoxyethoxy)propyl]pentan-1-amine
CID 62565008
N-[2-(2,2-difluoroethoxy)propyl]butan-1-amine
CID 82009434
N-propyl-2-(4,4,4-trifluorobutoxy)propan-1-amine
CID 82792300
4-(3-methoxy-3-methylbutoxy)-N-methylpentan-2-amine
CID 106665316

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxy-3-methylbutoxy)propyl]butan-1-amine?
The IUPAC name of N-[2-(3-methoxy-3-methylbutoxy)propyl]butan-1-amine (CID 106668220) is N-[2-(3-methoxy-3-methylbutoxy)propyl]butan-1-amine.
What is the SMILES notation for N-[2-(3-methoxy-3-methylbutoxy)propyl]butan-1-amine?
The canonical SMILES for N-[2-(3-methoxy-3-methylbutoxy)propyl]butan-1-amine is CCCCNCC(C)OCCC(C)(C)OC.
What is the InChIKey of N-[2-(3-methoxy-3-methylbutoxy)propyl]butan-1-amine?
The InChIKey is YNCUBQATIAMRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2/c1-6-7-9-14-11-12(2)16-10-8-13(3,4)15-5/h12,14H,6-11H2,1-5H3.
What are the key properties of N-[2-(3-methoxy-3-methylbutoxy)propyl]butan-1-amine?
N-[2-(3-methoxy-3-methylbutoxy)propyl]butan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 2.60, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxy-3-methylbutoxy)propyl]butan-1-amine is sourced from PubChem (CID 106668220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).