N-(5-amino-2,4,4-trimethylpentan-2-yl)-N-methylethanimidamide

C11H25N3 — CID 126732276

IUPACN-(5-amino-2,4,4-trimethylpentan-2-yl)-N-methylethanimidamide
SMILES[H]/N=C(\C)N(C)C(C)(C)CC(C)(C)CN
InChIInChI=1S/C11H25N3/c1-9(13)14(6)11(4,5)7-10(2,3)8-12/h13H,7-8,12H2,1-6H3/b13-9+
InChIKeyZYPJSIDVECVETO-UKTHLTGXSA-N
MW199.34 g/mol
LogP2.07
Rot. Bonds4

About N-(5-amino-2,4,4-trimethylpentan-2-yl)-N-methylethanimidamide

N-(5-amino-2,4,4-trimethylpentan-2-yl)-N-methylethanimidamide (PubChem CID 126732276) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is N-(5-amino-2,4,4-trimethylpentan-2-yl)-N-methylethanimidamide.

Molecular Properties

Compound NameN-(5-amino-2,4,4-trimethylpentan-2-yl)-N-methylethanimidamide
PubChem CID126732276
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC NameN-(5-amino-2,4,4-trimethylpentan-2-yl)-N-methylethanimidamide
SMILES[H]/N=C(\C)N(C)C(C)(C)CC(C)(C)CN
InChIInChI=1S/C11H25N3/c1-9(13)14(6)11(4,5)7-10(2,3)8-12/h13H,7-8,12H2,1-6H3/b13-9+
InChIKeyZYPJSIDVECVETO-UKTHLTGXSA-N
XLogP2.07
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2,4,4-trimethylpentan-2-yl)-N-methylethanimidamide?
The IUPAC name of N-(5-amino-2,4,4-trimethylpentan-2-yl)-N-methylethanimidamide (CID 126732276) is N-(5-amino-2,4,4-trimethylpentan-2-yl)-N-methylethanimidamide.
What is the SMILES notation for N-(5-amino-2,4,4-trimethylpentan-2-yl)-N-methylethanimidamide?
The canonical SMILES for N-(5-amino-2,4,4-trimethylpentan-2-yl)-N-methylethanimidamide is [H]/N=C(\C)N(C)C(C)(C)CC(C)(C)CN.
What is the InChIKey of N-(5-amino-2,4,4-trimethylpentan-2-yl)-N-methylethanimidamide?
The InChIKey is ZYPJSIDVECVETO-UKTHLTGXSA-N. The full InChI is InChI=1S/C11H25N3/c1-9(13)14(6)11(4,5)7-10(2,3)8-12/h13H,7-8,12H2,1-6H3/b13-9+.
What are the key properties of N-(5-amino-2,4,4-trimethylpentan-2-yl)-N-methylethanimidamide?
N-(5-amino-2,4,4-trimethylpentan-2-yl)-N-methylethanimidamide has a molecular weight of 199.34 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2,4,4-trimethylpentan-2-yl)-N-methylethanimidamide is sourced from PubChem (CID 126732276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).