2-(2-azidoethylamino)-4,4-dimethylpentanamide

C9H19N5O — CID 66190065

IUPAC2-(2-azidoethylamino)-4,4-dimethylpentanamide
SMILESCC(C)(C)CC(NCCN=[N+]=[N-])C(N)=O
InChIInChI=1S/C9H19N5O/c1-9(2,3)6-7(8(10)15)12-4-5-13-14-11/h7,12H,4-6H2,1-3H3,(H2,10,15)
InChIKeyDVBAMCBTGBXZLW-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.18
Rot. Bonds6

About 2-(2-azidoethylamino)-4,4-dimethylpentanamide

2-(2-azidoethylamino)-4,4-dimethylpentanamide (PubChem CID 66190065) has the molecular formula C9H19N5O and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-(2-azidoethylamino)-4,4-dimethylpentanamide.

Molecular Properties

Compound Name2-(2-azidoethylamino)-4,4-dimethylpentanamide
PubChem CID66190065
Molecular FormulaC9H19N5O
Molecular Weight213.28 g/mol
Exact Mass213.16
IUPAC Name2-(2-azidoethylamino)-4,4-dimethylpentanamide
SMILESCC(C)(C)CC(NCCN=[N+]=[N-])C(N)=O
InChIInChI=1S/C9H19N5O/c1-9(2,3)6-7(8(10)15)12-4-5-13-14-11/h7,12H,4-6H2,1-3H3,(H2,10,15)
InChIKeyDVBAMCBTGBXZLW-UHFFFAOYSA-N
XLogP1.18
TPSA103.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(2-azidoethylamino)-4,4-dimethylpentanoate
CID 66191015
3-azido-2-(2-azidoethylamino)propanamide
CID 66429441
2-(2-azidoethylamino)pentanoic acid
CID 66191397
2-(3-azidopropylamino)-4-methylsulfanylbutanamide
CID 66165986
5-azido-2-(ethylamino)pentanamide
CID 166997147
3-azido-2-[2-(diethylamino)ethylamino]propanamide
CID 66429641
4,4-dimethyl-2-(propan-2-ylamino)pentanamide
CID 62950415
2-(2-azidoethylamino)-2-(4-methylcyclohexyl)acetamide
CID 66190841
2-(2-azidoethylamino)octanoic acid
CID 66190006
methyl 2-(2-azidoethylamino)-3-phenylpropanoate
CID 66190227
tert-butyl (2S)-4-(2-azidoethylamino)-2-(tert-butylamino)butanoate
CID 176583516
N-(3-azidopropyl)-3,5,5-trimethylhexanamide
CID 61344869

Frequently Asked Questions

What is the IUPAC name of 2-(2-azidoethylamino)-4,4-dimethylpentanamide?
The IUPAC name of 2-(2-azidoethylamino)-4,4-dimethylpentanamide (CID 66190065) is 2-(2-azidoethylamino)-4,4-dimethylpentanamide.
What is the SMILES notation for 2-(2-azidoethylamino)-4,4-dimethylpentanamide?
The canonical SMILES for 2-(2-azidoethylamino)-4,4-dimethylpentanamide is CC(C)(C)CC(NCCN=[N+]=[N-])C(N)=O.
What is the InChIKey of 2-(2-azidoethylamino)-4,4-dimethylpentanamide?
The InChIKey is DVBAMCBTGBXZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5O/c1-9(2,3)6-7(8(10)15)12-4-5-13-14-11/h7,12H,4-6H2,1-3H3,(H2,10,15).
What are the key properties of 2-(2-azidoethylamino)-4,4-dimethylpentanamide?
2-(2-azidoethylamino)-4,4-dimethylpentanamide has a molecular weight of 213.28 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azidoethylamino)-4,4-dimethylpentanamide is sourced from PubChem (CID 66190065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).