2-(cyclopropylamino)-6-(3-methoxy-3-methylbutoxy)-2-methylhexanamide

C16H32N2O3 — CID 106666776

IUPAC2-(cyclopropylamino)-6-(3-methoxy-3-methylbutoxy)-2-methylhexanamide
SMILESCOC(C)(C)CCOCCCCC(C)(NC1CC1)C(N)=O
InChIInChI=1S/C16H32N2O3/c1-15(2,20-4)10-12-21-11-6-5-9-16(3,14(17)19)18-13-7-8-13/h13,18H,5-12H2,1-4H3,(H2,17,19)
InChIKeyQSNIHWWVDPCQAQ-UHFFFAOYSA-N
MW300.44 g/mol
LogP1.98
Rot. Bonds12

About 2-(cyclopropylamino)-6-(3-methoxy-3-methylbutoxy)-2-methylhexanamide

2-(cyclopropylamino)-6-(3-methoxy-3-methylbutoxy)-2-methylhexanamide (PubChem CID 106666776) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is 2-(cyclopropylamino)-6-(3-methoxy-3-methylbutoxy)-2-methylhexanamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-6-(3-methoxy-3-methylbutoxy)-2-methylhexanamide
PubChem CID106666776
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Name2-(cyclopropylamino)-6-(3-methoxy-3-methylbutoxy)-2-methylhexanamide
SMILESCOC(C)(C)CCOCCCCC(C)(NC1CC1)C(N)=O
InChIInChI=1S/C16H32N2O3/c1-15(2,20-4)10-12-21-11-6-5-9-16(3,14(17)19)18-13-7-8-13/h13,18H,5-12H2,1-4H3,(H2,17,19)
InChIKeyQSNIHWWVDPCQAQ-UHFFFAOYSA-N
XLogP1.98
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopropylamino)-2-methyl-6-(2-propoxyethoxy)hexanamide
CID 63685314
methyl 2-(cyclopropylamino)-4-(3-methoxy-3-methylbutoxy)-2-methylbutanoate
CID 106666818
5-(3-methoxy-3-methylbutoxy)-2-methyl-2-(propan-2-ylamino)pentanamide
CID 106666736
5-(3-methoxy-3-methylbutoxy)-2-methyl-2-(propylamino)pentanamide
CID 106666735
2-(cyclopentylamino)-4-methoxy-2,4-dimethylpentanamide
CID 54894509
methyl 2-(cyclopropylamino)-4-[3-(2-methoxyethoxy)propoxy]-2-methylbutanoate
CID 103404585
2-(cyclopropylamino)-5-[2-methoxyethyl(propan-2-yl)amino]-2-methylpentanamide
CID 82960589
2-(cycloheptylamino)-2-methylnonanamide
CID 60998647
2-(cyclopropylamino)-5-(3-methoxypiperidin-1-yl)-2-methylpentanamide
CID 102966587
2-(cyclopropylamino)-2-methyl-8-(methylamino)nonanediamide
CID 66224091
2-(cyclopropylamino)-6-(2,3-dimethylpiperidin-1-yl)-2-methylhexanamide
CID 62122902
ethyl 2-(cyclopropylamino)-6-(2,2-difluoroethoxy)-2-methylhexanoate
CID 82007194

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-6-(3-methoxy-3-methylbutoxy)-2-methylhexanamide?
The IUPAC name of 2-(cyclopropylamino)-6-(3-methoxy-3-methylbutoxy)-2-methylhexanamide (CID 106666776) is 2-(cyclopropylamino)-6-(3-methoxy-3-methylbutoxy)-2-methylhexanamide.
What is the SMILES notation for 2-(cyclopropylamino)-6-(3-methoxy-3-methylbutoxy)-2-methylhexanamide?
The canonical SMILES for 2-(cyclopropylamino)-6-(3-methoxy-3-methylbutoxy)-2-methylhexanamide is COC(C)(C)CCOCCCCC(C)(NC1CC1)C(N)=O.
What is the InChIKey of 2-(cyclopropylamino)-6-(3-methoxy-3-methylbutoxy)-2-methylhexanamide?
The InChIKey is QSNIHWWVDPCQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-15(2,20-4)10-12-21-11-6-5-9-16(3,14(17)19)18-13-7-8-13/h13,18H,5-12H2,1-4H3,(H2,17,19).
What are the key properties of 2-(cyclopropylamino)-6-(3-methoxy-3-methylbutoxy)-2-methylhexanamide?
2-(cyclopropylamino)-6-(3-methoxy-3-methylbutoxy)-2-methylhexanamide has a molecular weight of 300.44 g/mol, XLogP of 1.98, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-6-(3-methoxy-3-methylbutoxy)-2-methylhexanamide is sourced from PubChem (CID 106666776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).