6-amino-N-hex-5-ynyl-4,4-dimethylhexanamide

C14H26N2O — CID 106213131

IUPAC6-amino-N-hex-5-ynyl-4,4-dimethylhexanamide
SMILESC#CCCCCNC(=O)CCC(C)(C)CCN
InChIInChI=1S/C14H26N2O/c1-4-5-6-7-12-16-13(17)8-9-14(2,3)10-11-15/h1H,5-12,15H2,2-3H3,(H,16,17)
InChIKeyFYIKZVXCIWPKEP-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.06
Rot. Bonds9

About 6-amino-N-hex-5-ynyl-4,4-dimethylhexanamide

6-amino-N-hex-5-ynyl-4,4-dimethylhexanamide (PubChem CID 106213131) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 6-amino-N-hex-5-ynyl-4,4-dimethylhexanamide.

Molecular Properties

Compound Name6-amino-N-hex-5-ynyl-4,4-dimethylhexanamide
PubChem CID106213131
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name6-amino-N-hex-5-ynyl-4,4-dimethylhexanamide
SMILESC#CCCCCNC(=O)CCC(C)(C)CCN
InChIInChI=1S/C14H26N2O/c1-4-5-6-7-12-16-13(17)8-9-14(2,3)10-11-15/h1H,5-12,15H2,2-3H3,(H,16,17)
InChIKeyFYIKZVXCIWPKEP-UHFFFAOYSA-N
XLogP2.06
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.06
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-but-3-ynyl-4,4-dimethylhexanamide
CID 65291291
6-amino-N-(6-hydroxyhexyl)-4,4-dimethylhexanamide
CID 107842588
6-amino-N-[4-(dimethylamino)butyl]-4,4-dimethylhexanamide
CID 65291456
6-amino-4,4-dimethyl-N-(7-methyloctyl)hexanamide
CID 65292309
6-amino-4,4-dimethyl-N-(3,3,3-trifluoropropyl)hexanamide
CID 65291671
N-hex-5-ynyl-3,3-dimethylbutanamide
CID 103758094
N-hex-5-ynyl-3-methylsulfanylpropanamide
CID 103757804
6-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-4,4-dimethylhexanamide
CID 79401305
6-amino-4,4-dimethyl-N-(3-phenylpropyl)hexanamide
CID 65290908
N-(2-aminoethyl)pent-4-ynamide
CID 103840698
(Z)-N-(3,3-diaminobutyl)octadec-9-en-17-ynamide
CID 145163611
3-amino-N-(5,5-dimethylhexyl)propanamide
CID 119318983

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-hex-5-ynyl-4,4-dimethylhexanamide?
The IUPAC name of 6-amino-N-hex-5-ynyl-4,4-dimethylhexanamide (CID 106213131) is 6-amino-N-hex-5-ynyl-4,4-dimethylhexanamide.
What is the SMILES notation for 6-amino-N-hex-5-ynyl-4,4-dimethylhexanamide?
The canonical SMILES for 6-amino-N-hex-5-ynyl-4,4-dimethylhexanamide is C#CCCCCNC(=O)CCC(C)(C)CCN.
What is the InChIKey of 6-amino-N-hex-5-ynyl-4,4-dimethylhexanamide?
The InChIKey is FYIKZVXCIWPKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-4-5-6-7-12-16-13(17)8-9-14(2,3)10-11-15/h1H,5-12,15H2,2-3H3,(H,16,17).
What are the key properties of 6-amino-N-hex-5-ynyl-4,4-dimethylhexanamide?
6-amino-N-hex-5-ynyl-4,4-dimethylhexanamide has a molecular weight of 238.37 g/mol, XLogP of 2.06, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-hex-5-ynyl-4,4-dimethylhexanamide is sourced from PubChem (CID 106213131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).