6-amino-N-but-3-ynyl-4,4-dimethylhexanamide

C12H22N2O — CID 65291291

IUPAC6-amino-N-but-3-ynyl-4,4-dimethylhexanamide
SMILESC#CCCNC(=O)CCC(C)(C)CCN
InChIInChI=1S/C12H22N2O/c1-4-5-10-14-11(15)6-7-12(2,3)8-9-13/h1H,5-10,13H2,2-3H3,(H,14,15)
InChIKeyBJDYOIBAPBQISC-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.28
Rot. Bonds7

About 6-amino-N-but-3-ynyl-4,4-dimethylhexanamide

6-amino-N-but-3-ynyl-4,4-dimethylhexanamide (PubChem CID 65291291) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 6-amino-N-but-3-ynyl-4,4-dimethylhexanamide.

Molecular Properties

Compound Name6-amino-N-but-3-ynyl-4,4-dimethylhexanamide
PubChem CID65291291
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name6-amino-N-but-3-ynyl-4,4-dimethylhexanamide
SMILESC#CCCNC(=O)CCC(C)(C)CCN
InChIInChI=1S/C12H22N2O/c1-4-5-10-14-11(15)6-7-12(2,3)8-9-13/h1H,5-10,13H2,2-3H3,(H,14,15)
InChIKeyBJDYOIBAPBQISC-UHFFFAOYSA-N
XLogP1.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-hex-5-ynyl-4,4-dimethylhexanamide
CID 106213131
6-amino-4,4-dimethyl-N-(3,3,3-trifluoropropyl)hexanamide
CID 65291671
6-amino-N-(6-hydroxyhexyl)-4,4-dimethylhexanamide
CID 107842588
N-(2-aminoethyl)pent-4-ynamide
CID 103840698
2-[(6-amino-4,4-dimethylhexanoyl)amino]acetic acid
CID 65291863
6-amino-N-[4-(dimethylamino)butyl]-4,4-dimethylhexanamide
CID 65291456
N-but-3-ynylhex-5-ynamide
CID 10630847
6-amino-4,4-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]hexanamide
CID 65291287
6-amino-4,4-dimethyl-N-(7-methyloctyl)hexanamide
CID 65292309
methyl 3-[(6-amino-4,4-dimethylhexanoyl)amino]-2-hydroxypropanoate
CID 107222651
ethyl 2-[(6-amino-4,4-dimethylhexanoyl)amino]acetate
CID 65290762
6-(but-3-ynylamino)-4,4-dimethylhexanoic acid
CID 65287661

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-but-3-ynyl-4,4-dimethylhexanamide?
The IUPAC name of 6-amino-N-but-3-ynyl-4,4-dimethylhexanamide (CID 65291291) is 6-amino-N-but-3-ynyl-4,4-dimethylhexanamide.
What is the SMILES notation for 6-amino-N-but-3-ynyl-4,4-dimethylhexanamide?
The canonical SMILES for 6-amino-N-but-3-ynyl-4,4-dimethylhexanamide is C#CCCNC(=O)CCC(C)(C)CCN.
What is the InChIKey of 6-amino-N-but-3-ynyl-4,4-dimethylhexanamide?
The InChIKey is BJDYOIBAPBQISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-5-10-14-11(15)6-7-12(2,3)8-9-13/h1H,5-10,13H2,2-3H3,(H,14,15).
What are the key properties of 6-amino-N-but-3-ynyl-4,4-dimethylhexanamide?
6-amino-N-but-3-ynyl-4,4-dimethylhexanamide has a molecular weight of 210.32 g/mol, XLogP of 1.28, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-but-3-ynyl-4,4-dimethylhexanamide is sourced from PubChem (CID 65291291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).