N-[[4-(1-amino-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]amino]-N-methylhex-5-en-1-amine oxide

C16H35N3O2 — CID 163629273

IUPACN-[[4-(1-amino-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]amino]-N-methylhex-5-en-1-amine oxide
SMILESC=CCCCC[N+](C)([O-])NC(C)(C)CCOC(C)(C)CN
InChIInChI=1S/C16H35N3O2/c1-7-8-9-10-12-19(6,20)18-15(2,3)11-13-21-16(4,5)14-17/h7,18H,1,8-14,17H2,2-6H3
InChIKeyHUQXVVCZCGFRDE-UHFFFAOYSA-N
MW301.48 g/mol
LogP2.71
Rot. Bonds12

About N-[[4-(1-amino-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]amino]-N-methylhex-5-en-1-amine oxide

N-[[4-(1-amino-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]amino]-N-methylhex-5-en-1-amine oxide (PubChem CID 163629273) has the molecular formula C16H35N3O2 and a molecular weight of 301.48 g/mol. Its IUPAC name is N-[[4-(1-amino-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]amino]-N-methylhex-5-en-1-amine oxide.

Molecular Properties

Compound NameN-[[4-(1-amino-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]amino]-N-methylhex-5-en-1-amine oxide
PubChem CID163629273
Molecular FormulaC16H35N3O2
Molecular Weight301.48 g/mol
Exact Mass301.27
IUPAC NameN-[[4-(1-amino-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]amino]-N-methylhex-5-en-1-amine oxide
SMILESC=CCCCC[N+](C)([O-])NC(C)(C)CCOC(C)(C)CN
InChIInChI=1S/C16H35N3O2/c1-7-8-9-10-12-19(6,20)18-15(2,3)11-13-21-16(4,5)14-17/h7,18H,1,8-14,17H2,2-6H3
InChIKeyHUQXVVCZCGFRDE-UHFFFAOYSA-N
XLogP2.71
TPSA70.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.48
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N-[4-(1-amino-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]formamide
CID 166659477
4-[2-methyl-4-(2-methylhept-6-en-2-yloxy)butan-2-yl]oxybutanal
CID 146246879
3,3-dimethyldec-9-en-1-amine
CID 107010664
N-ethyl-N-oct-7-enyloct-7-en-1-amine oxide
CID 102116444
N-[2-[4-(1-amino-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]oxyethyl]-6-methyl-5-oxoheptanamide
CID 166464920
2-methyl-4-(2-methylpent-4-en-2-yloxy)butan-2-amine
CID 89277490
dec-9-enyl-ethyl-dimethylazanium
CID 129287044
7-fluoro-7-methyloct-1-ene
CID 87159398
dodecyl-hex-5-enyl-dimethylazanium
CID 14625828
2-[3-[3-[2-(2-aminoethoxy)ethoxy]-2,2-bis[2-(2-aminoethoxy)ethoxymethyl]propoxy]-3-methylpentoxy]-2-methylpropan-1-amine
CID 165429919
2-methyl-2-(3-methylsulfonylpropoxy)propan-1-amine
CID 65053387
2,3-dimethyl-3-pent-4-enoxybutan-2-ol
CID 175216620

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1-amino-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]amino]-N-methylhex-5-en-1-amine oxide?
The IUPAC name of N-[[4-(1-amino-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]amino]-N-methylhex-5-en-1-amine oxide (CID 163629273) is N-[[4-(1-amino-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]amino]-N-methylhex-5-en-1-amine oxide.
What is the SMILES notation for N-[[4-(1-amino-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]amino]-N-methylhex-5-en-1-amine oxide?
The canonical SMILES for N-[[4-(1-amino-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]amino]-N-methylhex-5-en-1-amine oxide is C=CCCCC[N+](C)([O-])NC(C)(C)CCOC(C)(C)CN.
What is the InChIKey of N-[[4-(1-amino-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]amino]-N-methylhex-5-en-1-amine oxide?
The InChIKey is HUQXVVCZCGFRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3O2/c1-7-8-9-10-12-19(6,20)18-15(2,3)11-13-21-16(4,5)14-17/h7,18H,1,8-14,17H2,2-6H3.
What are the key properties of N-[[4-(1-amino-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]amino]-N-methylhex-5-en-1-amine oxide?
N-[[4-(1-amino-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]amino]-N-methylhex-5-en-1-amine oxide has a molecular weight of 301.48 g/mol, XLogP of 2.71, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1-amino-2-methylpropan-2-yl)oxy-2-methylbutan-2-yl]amino]-N-methylhex-5-en-1-amine oxide is sourced from PubChem (CID 163629273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).