2-amino-4-methyl-N-pent-3-ynylpentanamide

C11H20N2O — CID 116644158

IUPAC2-amino-4-methyl-N-pent-3-ynylpentanamide
SMILESCC#CCCNC(=O)C(N)CC(C)C
InChIInChI=1S/C11H20N2O/c1-4-5-6-7-13-11(14)10(12)8-9(2)3/h9-10H,6-8,12H2,1-3H3,(H,13,14)
InChIKeyNERFBWNPRDRMFX-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.89
Rot. Bonds5

About 2-amino-4-methyl-N-pent-3-ynylpentanamide

2-amino-4-methyl-N-pent-3-ynylpentanamide (PubChem CID 116644158) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-amino-4-methyl-N-pent-3-ynylpentanamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-pent-3-ynylpentanamide
PubChem CID116644158
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2-amino-4-methyl-N-pent-3-ynylpentanamide
SMILESCC#CCCNC(=O)C(N)CC(C)C
InChIInChI=1S/C11H20N2O/c1-4-5-6-7-13-11(14)10(12)8-9(2)3/h9-10H,6-8,12H2,1-3H3,(H,13,14)
InChIKeyNERFBWNPRDRMFX-UHFFFAOYSA-N
XLogP0.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.89
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

(2R)-2-amino-N-pent-3-ynylbutanamide
CID 104891645
2-amino-N-(2-cyanoethyl)-4-methylpentanamide
CID 43364126
2-amino-3,3-dimethyl-N-pent-3-ynylbutanamide
CID 116644023
(2S)-2-amino-4-methyl-N-(4-methylpentyl)pentanamide
CID 61158361
(2S)-2-amino-N-(2,2-dimethylpropyl)-4-methylpentanamide;hydrochloride
CID 119709105
(2R)-2-amino-N-[(2R)-2-hydroxypropyl]-4-methylpentanamide
CID 107220977
2-amino-N-(5-amino-5-oxopentyl)-4-methylpentanamide
CID 106235612
(2R)-2-amino-4-methyl-N-(3,3,3-trifluoropropyl)pentanamide
CID 104903471
(2S)-2-amino-N-[(2R,3S)-3-amino-2-hydroxy-5-methylhexyl]-4-methylpentanamide
CID 88667653
(2R)-2-amino-4-methyl-N-[2-(2-methylpropoxy)ethyl]pentanamide
CID 104904081
(2S)-2-amino-4-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]pentanamide;hydrochloride
CID 119703887
(2R)-2-amino-N-[3-(dimethylamino)-3-oxopropyl]-4-methylpentanamide
CID 104902959

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-pent-3-ynylpentanamide?
The IUPAC name of 2-amino-4-methyl-N-pent-3-ynylpentanamide (CID 116644158) is 2-amino-4-methyl-N-pent-3-ynylpentanamide.
What is the SMILES notation for 2-amino-4-methyl-N-pent-3-ynylpentanamide?
The canonical SMILES for 2-amino-4-methyl-N-pent-3-ynylpentanamide is CC#CCCNC(=O)C(N)CC(C)C.
What is the InChIKey of 2-amino-4-methyl-N-pent-3-ynylpentanamide?
The InChIKey is NERFBWNPRDRMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-4-5-6-7-13-11(14)10(12)8-9(2)3/h9-10H,6-8,12H2,1-3H3,(H,13,14).
What are the key properties of 2-amino-4-methyl-N-pent-3-ynylpentanamide?
2-amino-4-methyl-N-pent-3-ynylpentanamide has a molecular weight of 196.29 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-pent-3-ynylpentanamide is sourced from PubChem (CID 116644158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).