N-(3-butoxypropyl)-3-methoxy-3-methylbutan-1-amine

C13H29NO2 — CID 103033604

IUPACN-(3-butoxypropyl)-3-methoxy-3-methylbutan-1-amine
SMILESCCCCOCCCNCCC(C)(C)OC
InChIInChI=1S/C13H29NO2/c1-5-6-11-16-12-7-9-14-10-8-13(2,3)15-4/h14H,5-12H2,1-4H3
InChIKeyZCQCHPFAEQZPJD-UHFFFAOYSA-N
MW231.38 g/mol
LogP2.60
Rot. Bonds11

About N-(3-butoxypropyl)-3-methoxy-3-methylbutan-1-amine

N-(3-butoxypropyl)-3-methoxy-3-methylbutan-1-amine (PubChem CID 103033604) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is N-(3-butoxypropyl)-3-methoxy-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-(3-butoxypropyl)-3-methoxy-3-methylbutan-1-amine
PubChem CID103033604
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC NameN-(3-butoxypropyl)-3-methoxy-3-methylbutan-1-amine
SMILESCCCCOCCCNCCC(C)(C)OC
InChIInChI=1S/C13H29NO2/c1-5-6-11-16-12-7-9-14-10-8-13(2,3)15-4/h14H,5-12H2,1-4H3
InChIKeyZCQCHPFAEQZPJD-UHFFFAOYSA-N
XLogP2.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
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

[4-(Tert-butoxy)butyl](methyl)amine hydrochloride
CID 138987514
N-(2,2-difluoroethyl)-3-(3-methoxy-3-methylbutoxy)-3-methylbutan-1-amine
CID 167259777
3-(3-methoxy-3-methylbutoxy)-3-methyl-N-(2,2,2-trifluoroethyl)butan-1-amine
CID 167260593
3-methoxy-3-methyl-N-(3-methylbutyl)butan-1-amine
CID 103033087
3-methoxy-N-(3-methoxypropyl)-3-methylbutan-1-amine
CID 103033130
N-(2-ethoxyethyl)-3-methoxy-3-methylbutan-1-amine
CID 103033156
N-(3-methoxy-3-methylbutyl)oxan-4-amine
CID 103033158
3-methoxy-3-methyl-N-(oxan-4-ylmethyl)butan-1-amine
CID 103033344
N-(3-methoxy-3-methylbutyl)oxolan-3-amine
CID 103033459
3-methoxy-N-[4-(2-methoxyethoxy)butyl]-3-methylbutan-1-amine
CID 103033582
N-but-2-ynyl-3-methoxy-3-methylbutan-1-amine
CID 103033584
N-(2-ethoxypropyl)-3-methoxy-3-methylbutan-1-amine
CID 103033595

Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropyl)-3-methoxy-3-methylbutan-1-amine?
The IUPAC name of N-(3-butoxypropyl)-3-methoxy-3-methylbutan-1-amine (CID 103033604) is N-(3-butoxypropyl)-3-methoxy-3-methylbutan-1-amine.
What is the SMILES notation for N-(3-butoxypropyl)-3-methoxy-3-methylbutan-1-amine?
The canonical SMILES for N-(3-butoxypropyl)-3-methoxy-3-methylbutan-1-amine is CCCCOCCCNCCC(C)(C)OC.
What is the InChIKey of N-(3-butoxypropyl)-3-methoxy-3-methylbutan-1-amine?
The InChIKey is ZCQCHPFAEQZPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2/c1-5-6-11-16-12-7-9-14-10-8-13(2,3)15-4/h14H,5-12H2,1-4H3.
What are the key properties of N-(3-butoxypropyl)-3-methoxy-3-methylbutan-1-amine?
N-(3-butoxypropyl)-3-methoxy-3-methylbutan-1-amine has a molecular weight of 231.38 g/mol, XLogP of 2.60, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-3-methoxy-3-methylbutan-1-amine is sourced from PubChem (CID 103033604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).