6-amino-N-[2-methyl-4-(2,3,3-trimethylbutan-2-yloxy)butan-2-yl]hexanamide

C18H38N2O2 — CID 167239667

IUPAC6-amino-N-[2-methyl-4-(2,3,3-trimethylbutan-2-yloxy)butan-2-yl]hexanamide
SMILESCC(C)(CCOC(C)(C)C(C)(C)C)NC(=O)CCCCCN
InChIInChI=1S/C18H38N2O2/c1-16(2,3)18(6,7)22-14-12-17(4,5)20-15(21)11-9-8-10-13-19/h8-14,19H2,1-7H3,(H,20,21)
InChIKeyNMVAYXXEZVRGBY-UHFFFAOYSA-N
MW314.51 g/mol
LogP3.63
Rot. Bonds10

About 6-amino-N-[2-methyl-4-(2,3,3-trimethylbutan-2-yloxy)butan-2-yl]hexanamide

6-amino-N-[2-methyl-4-(2,3,3-trimethylbutan-2-yloxy)butan-2-yl]hexanamide (PubChem CID 167239667) has the molecular formula C18H38N2O2 and a molecular weight of 314.51 g/mol. Its IUPAC name is 6-amino-N-[2-methyl-4-(2,3,3-trimethylbutan-2-yloxy)butan-2-yl]hexanamide.

Molecular Properties

Compound Name6-amino-N-[2-methyl-4-(2,3,3-trimethylbutan-2-yloxy)butan-2-yl]hexanamide
PubChem CID167239667
Molecular FormulaC18H38N2O2
Molecular Weight314.51 g/mol
Exact Mass314.29
IUPAC Name6-amino-N-[2-methyl-4-(2,3,3-trimethylbutan-2-yloxy)butan-2-yl]hexanamide
SMILESCC(C)(CCOC(C)(C)C(C)(C)C)NC(=O)CCCCCN
InChIInChI=1S/C18H38N2O2/c1-16(2,3)18(6,7)22-14-12-17(4,5)20-15(21)11-9-8-10-13-19/h8-14,19H2,1-7H3,(H,20,21)
InChIKeyNMVAYXXEZVRGBY-UHFFFAOYSA-N
XLogP3.63
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.51
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-amino-N-(1-hydroxy-2-methylpropan-2-yl)heptanamide
CID 43500036
4-(6-aminohexanoylamino)-4-methylheptanedioic acid
CID 146234237
2-(7-aminoheptanoylamino)-2-methylpentanoic acid
CID 61161031
azane;[3-methyl-3-(pentanoylamino)butyl] acetate
CID 88780374
6-amino-N-(2-hydroxy-2-methylpropyl)hexanamide
CID 65106883
[5-[(1-amino-2-methylpropan-2-yl)amino]-5-oxopentyl] hypoiodite
CID 146357651
N-[4-(4-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]acetamide
CID 144960921
4-(6-aminohexanoylamino)-4-(2-carboxyethyl)heptanedioic acid
CID 146233912
4-(5-methoxypentanoylamino)-4-methylpentanoic acid
CID 119203844
3-[5-(11-aminoundecoxy)pentoxy]-N-(2-methylbut-3-en-2-yl)propanamide
CID 134421875
5-[3-[(2-aminooxyacetyl)amino]-3-methylbutoxy]-5-methylhexanoic acid
CID 90800865
N-[1,7-diamino-4-(3-aminopropyl)heptan-4-yl]dodecanamide;trihydrochloride
CID 24905581

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[2-methyl-4-(2,3,3-trimethylbutan-2-yloxy)butan-2-yl]hexanamide?
The IUPAC name of 6-amino-N-[2-methyl-4-(2,3,3-trimethylbutan-2-yloxy)butan-2-yl]hexanamide (CID 167239667) is 6-amino-N-[2-methyl-4-(2,3,3-trimethylbutan-2-yloxy)butan-2-yl]hexanamide.
What is the SMILES notation for 6-amino-N-[2-methyl-4-(2,3,3-trimethylbutan-2-yloxy)butan-2-yl]hexanamide?
The canonical SMILES for 6-amino-N-[2-methyl-4-(2,3,3-trimethylbutan-2-yloxy)butan-2-yl]hexanamide is CC(C)(CCOC(C)(C)C(C)(C)C)NC(=O)CCCCCN.
What is the InChIKey of 6-amino-N-[2-methyl-4-(2,3,3-trimethylbutan-2-yloxy)butan-2-yl]hexanamide?
The InChIKey is NMVAYXXEZVRGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O2/c1-16(2,3)18(6,7)22-14-12-17(4,5)20-15(21)11-9-8-10-13-19/h8-14,19H2,1-7H3,(H,20,21).
What are the key properties of 6-amino-N-[2-methyl-4-(2,3,3-trimethylbutan-2-yloxy)butan-2-yl]hexanamide?
6-amino-N-[2-methyl-4-(2,3,3-trimethylbutan-2-yloxy)butan-2-yl]hexanamide has a molecular weight of 314.51 g/mol, XLogP of 3.63, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[2-methyl-4-(2,3,3-trimethylbutan-2-yloxy)butan-2-yl]hexanamide is sourced from PubChem (CID 167239667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).