2,4-dimethyl-N'-prop-2-ynylpentanediamide

C10H16N2O2 — CID 153419083

IUPAC2,4-dimethyl-N'-prop-2-ynylpentanediamide
SMILESC#CCNC(=O)C(C)CC(C)C(N)=O
InChIInChI=1S/C10H16N2O2/c1-4-5-12-10(14)8(3)6-7(2)9(11)13/h1,7-8H,5-6H2,2-3H3,(H2,11,13)(H,12,14)
InChIKeyAZVSKDAIPOKSFQ-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.12
Rot. Bonds5

About 2,4-dimethyl-N'-prop-2-ynylpentanediamide

2,4-dimethyl-N'-prop-2-ynylpentanediamide (PubChem CID 153419083) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2,4-dimethyl-N'-prop-2-ynylpentanediamide.

Molecular Properties

Compound Name2,4-dimethyl-N'-prop-2-ynylpentanediamide
PubChem CID153419083
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2,4-dimethyl-N'-prop-2-ynylpentanediamide
SMILESC#CCNC(=O)C(C)CC(C)C(N)=O
InChIInChI=1S/C10H16N2O2/c1-4-5-12-10(14)8(3)6-7(2)9(11)13/h1,7-8H,5-6H2,2-3H3,(H2,11,13)(H,12,14)
InChIKeyAZVSKDAIPOKSFQ-UHFFFAOYSA-N
XLogP-0.12
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N'-prop-2-ynylpentanediamide?
The IUPAC name of 2,4-dimethyl-N'-prop-2-ynylpentanediamide (CID 153419083) is 2,4-dimethyl-N'-prop-2-ynylpentanediamide.
What is the SMILES notation for 2,4-dimethyl-N'-prop-2-ynylpentanediamide?
The canonical SMILES for 2,4-dimethyl-N'-prop-2-ynylpentanediamide is C#CCNC(=O)C(C)CC(C)C(N)=O.
What is the InChIKey of 2,4-dimethyl-N'-prop-2-ynylpentanediamide?
The InChIKey is AZVSKDAIPOKSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-4-5-12-10(14)8(3)6-7(2)9(11)13/h1,7-8H,5-6H2,2-3H3,(H2,11,13)(H,12,14).
What are the key properties of 2,4-dimethyl-N'-prop-2-ynylpentanediamide?
2,4-dimethyl-N'-prop-2-ynylpentanediamide has a molecular weight of 196.25 g/mol, XLogP of -0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N'-prop-2-ynylpentanediamide is sourced from PubChem (CID 153419083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).