6-amino-4-methyl-N-pent-1-yn-3-ylhexanamide

C12H22N2O — CID 106230416

IUPAC6-amino-4-methyl-N-pent-1-yn-3-ylhexanamide
SMILESC#CC(CC)NC(=O)CCC(C)CCN
InChIInChI=1S/C12H22N2O/c1-4-11(5-2)14-12(15)7-6-10(3)8-9-13/h1,10-11H,5-9,13H2,2-3H3,(H,14,15)
InChIKeyUBJZZTVASISLQV-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.28
Rot. Bonds7

About 6-amino-4-methyl-N-pent-1-yn-3-ylhexanamide

6-amino-4-methyl-N-pent-1-yn-3-ylhexanamide (PubChem CID 106230416) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 6-amino-4-methyl-N-pent-1-yn-3-ylhexanamide.

Molecular Properties

Compound Name6-amino-4-methyl-N-pent-1-yn-3-ylhexanamide
PubChem CID106230416
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name6-amino-4-methyl-N-pent-1-yn-3-ylhexanamide
SMILESC#CC(CC)NC(=O)CCC(C)CCN
InChIInChI=1S/C12H22N2O/c1-4-11(5-2)14-12(15)7-6-10(3)8-9-13/h1,10-11H,5-9,13H2,2-3H3,(H,14,15)
InChIKeyUBJZZTVASISLQV-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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-pent-1-yn-3-ylbutanamide
CID 106230437
4-(2-aminoethyl)-N-hex-1-yn-3-yl-5,5-dimethylhexanamide
CID 106230575
2-amino-N-[2-oxo-2-(pent-1-yn-3-ylamino)ethyl]acetamide
CID 106230441
3-ethoxy-N-pent-1-yn-3-ylpropanamide
CID 103579230
2-(methylamino)-N-pent-1-yn-3-ylacetamide
CID 106230235
4-methoxy-3-methyl-N-pent-1-yn-3-ylbutanamide
CID 103578918
3,3-dimethyl-N-pent-1-yn-3-ylbutanamide
CID 103578952
5-[(6-amino-4-methylhexanoyl)amino]hexanoic acid
CID 82847592
6-amino-N-[(1R)-1-cyclopentylethyl]-4-methylhexanamide
CID 81390503
9-amino-7-methylnonan-4-one
CID 116581538
6-amino-4-methyl-N-methylsulfonylhexanamide
CID 103287350
N-hex-1-yn-3-yl-4-hydroxybutanamide
CID 106233004

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-methyl-N-pent-1-yn-3-ylhexanamide?
The IUPAC name of 6-amino-4-methyl-N-pent-1-yn-3-ylhexanamide (CID 106230416) is 6-amino-4-methyl-N-pent-1-yn-3-ylhexanamide.
What is the SMILES notation for 6-amino-4-methyl-N-pent-1-yn-3-ylhexanamide?
The canonical SMILES for 6-amino-4-methyl-N-pent-1-yn-3-ylhexanamide is C#CC(CC)NC(=O)CCC(C)CCN.
What is the InChIKey of 6-amino-4-methyl-N-pent-1-yn-3-ylhexanamide?
The InChIKey is UBJZZTVASISLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-11(5-2)14-12(15)7-6-10(3)8-9-13/h1,10-11H,5-9,13H2,2-3H3,(H,14,15).
What are the key properties of 6-amino-4-methyl-N-pent-1-yn-3-ylhexanamide?
6-amino-4-methyl-N-pent-1-yn-3-ylhexanamide 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-4-methyl-N-pent-1-yn-3-ylhexanamide is sourced from PubChem (CID 106230416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).