N-benzyl-3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine

C18H31NO2 — CID 103034495

IUPACN-benzyl-3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine
SMILESCOC(C)(C)CCOCC(C)(C)CNCc1ccccc1
InChIInChI=1S/C18H31NO2/c1-17(2,15-21-12-11-18(3,4)20-5)14-19-13-16-9-7-6-8-10-16/h6-10,19H,11-15H2,1-5H3
InChIKeyBVLFPVSVJZAPDD-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.63
Rot. Bonds10

About N-benzyl-3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine

N-benzyl-3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine (PubChem CID 103034495) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is N-benzyl-3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-benzyl-3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine
PubChem CID103034495
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC NameN-benzyl-3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine
SMILESCOC(C)(C)CCOCC(C)(C)CNCc1ccccc1
InChIInChI=1S/C18H31NO2/c1-17(2,15-21-12-11-18(3,4)20-5)14-19-13-16-9-7-6-8-10-16/h6-10,19H,11-15H2,1-5H3
InChIKeyBVLFPVSVJZAPDD-UHFFFAOYSA-N
XLogP3.63
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.63
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-benzyl-3-(4-methoxybutoxy)-2,2-dimethylpropan-1-amine
CID 104648302
N-benzyl-3-ethoxy-2,2-dimethylpropan-1-amine
CID 112568802
3-[3-(benzylamino)-2,2-dimethylpropoxy]propan-1-ol
CID 106938875
N-benzyl-3-[2-(dimethylamino)ethoxy]-2,2-dimethylpropan-1-amine
CID 112568841
N-benzyl-2,2-dimethyl-3-(4-methylpentoxy)propan-1-amine
CID 115925386
N-ethyl-3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine
CID 106667698
N-tert-butyl-3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine
CID 106667762
N-benzyl-2,2-dimethyl-3-(pyridin-2-ylmethoxy)propan-1-amine
CID 115925354
2-[3-(benzylamino)-2,2-dimethylpropoxy]-N-carbamoylacetamide
CID 106938877
N-ethyl-2,2-dimethyl-3-(3-phenylpropoxy)propan-1-amine
CID 79626256
N-[[3-[(3-methoxy-3-methylbutoxy)methyl]phenyl]methyl]ethanamine
CID 106667655
2,2-dimethyl-N-(2-methylpropyl)-3-(3-phenylpropoxy)propan-1-amine
CID 79626902

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine?
The IUPAC name of N-benzyl-3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine (CID 103034495) is N-benzyl-3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for N-benzyl-3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine?
The canonical SMILES for N-benzyl-3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine is COC(C)(C)CCOCC(C)(C)CNCc1ccccc1.
What is the InChIKey of N-benzyl-3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine?
The InChIKey is BVLFPVSVJZAPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-17(2,15-21-12-11-18(3,4)20-5)14-19-13-16-9-7-6-8-10-16/h6-10,19H,11-15H2,1-5H3.
What are the key properties of N-benzyl-3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine?
N-benzyl-3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 3.63, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(3-methoxy-3-methylbutoxy)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 103034495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).