N-[2-[(2-hydrazinylacetyl)amino]ethyl]-3,3-dimethylbutanamide

C10H22N4O2 — CID 145289163

IUPACN-[2-[(2-hydrazinylacetyl)amino]ethyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCCNC(=O)CNN
InChIInChI=1S/C10H22N4O2/c1-10(2,3)6-8(15)12-4-5-13-9(16)7-14-11/h14H,4-7,11H2,1-3H3,(H,12,15)(H,13,16)
InChIKeyCBSMWWXFCJZELU-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.88
Rot. Bonds6

About N-[2-[(2-hydrazinylacetyl)amino]ethyl]-3,3-dimethylbutanamide

N-[2-[(2-hydrazinylacetyl)amino]ethyl]-3,3-dimethylbutanamide (PubChem CID 145289163) has the molecular formula C10H22N4O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is N-[2-[(2-hydrazinylacetyl)amino]ethyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-[(2-hydrazinylacetyl)amino]ethyl]-3,3-dimethylbutanamide
PubChem CID145289163
Molecular FormulaC10H22N4O2
Molecular Weight230.31 g/mol
Exact Mass230.17
IUPAC NameN-[2-[(2-hydrazinylacetyl)amino]ethyl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)NCCNC(=O)CNN
InChIInChI=1S/C10H22N4O2/c1-10(2,3)6-8(15)12-4-5-13-9(16)7-14-11/h14H,4-7,11H2,1-3H3,(H,12,15)(H,13,16)
InChIKeyCBSMWWXFCJZELU-UHFFFAOYSA-N
XLogP-0.88
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-hydrazinylacetyl)amino]ethyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[2-[(2-hydrazinylacetyl)amino]ethyl]-3,3-dimethylbutanamide (CID 145289163) is N-[2-[(2-hydrazinylacetyl)amino]ethyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[2-[(2-hydrazinylacetyl)amino]ethyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[2-[(2-hydrazinylacetyl)amino]ethyl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)NCCNC(=O)CNN.
What is the InChIKey of N-[2-[(2-hydrazinylacetyl)amino]ethyl]-3,3-dimethylbutanamide?
The InChIKey is CBSMWWXFCJZELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O2/c1-10(2,3)6-8(15)12-4-5-13-9(16)7-14-11/h14H,4-7,11H2,1-3H3,(H,12,15)(H,13,16).
What are the key properties of N-[2-[(2-hydrazinylacetyl)amino]ethyl]-3,3-dimethylbutanamide?
N-[2-[(2-hydrazinylacetyl)amino]ethyl]-3,3-dimethylbutanamide has a molecular weight of 230.31 g/mol, XLogP of -0.88, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-hydrazinylacetyl)amino]ethyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 145289163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).