N,N-diethyl-3-methylbutanimidamide

C9H20N2 — CID 21330946

IUPACN,N-diethyl-3-methylbutanimidamide
SMILES[H]/N=C(\CC(C)C)N(CC)CC
InChIInChI=1S/C9H20N2/c1-5-11(6-2)9(10)7-8(3)4/h8,10H,5-7H2,1-4H3/b10-9+
InChIKeyNCKMETJABKQAHX-MDZDMXLPSA-N
MW156.27 g/mol
LogP2.35
Rot. Bonds4

About N,N-diethyl-3-methylbutanimidamide

N,N-diethyl-3-methylbutanimidamide (PubChem CID 21330946) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is N,N-diethyl-3-methylbutanimidamide.

Molecular Properties

Compound NameN,N-diethyl-3-methylbutanimidamide
PubChem CID21330946
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC NameN,N-diethyl-3-methylbutanimidamide
SMILES[H]/N=C(\CC(C)C)N(CC)CC
InChIInChI=1S/C9H20N2/c1-5-11(6-2)9(10)7-8(3)4/h8,10H,5-7H2,1-4H3/b10-9+
InChIKeyNCKMETJABKQAHX-MDZDMXLPSA-N
XLogP2.35
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethylpropanimidamide
CID 13109962
N,N-Diethylbutanimidamide
CID 57106491
N,N-diisoamyl-guanidine
CID 103670835
1-(2-Methylpropyl)pyrrolidin-2-imine
CID 43121964
N,N-dipropylethanimidamide
CID 62047941
N,N-dipropylpropanimidamide
CID 62047942
N,N-diethylpentanimidamide
CID 45277197
N,N-dibutylpentanimidamide
CID 177896123
N,N-dipropylbutanimidamide
CID 62048118
2-methyl-N-propyl-N-(2,2,2-trifluoroethyl)propanimidamide
CID 63176665
N,N-Di(2-propanyl)butanimidamide
CID 101801650
N-butyl-N-(4-fluorobutyl)ethanimidamide
CID 141759696

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-methylbutanimidamide?
The IUPAC name of N,N-diethyl-3-methylbutanimidamide (CID 21330946) is N,N-diethyl-3-methylbutanimidamide.
What is the SMILES notation for N,N-diethyl-3-methylbutanimidamide?
The canonical SMILES for N,N-diethyl-3-methylbutanimidamide is [H]/N=C(\CC(C)C)N(CC)CC.
What is the InChIKey of N,N-diethyl-3-methylbutanimidamide?
The InChIKey is NCKMETJABKQAHX-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H20N2/c1-5-11(6-2)9(10)7-8(3)4/h8,10H,5-7H2,1-4H3/b10-9+.
What are the key properties of N,N-diethyl-3-methylbutanimidamide?
N,N-diethyl-3-methylbutanimidamide has a molecular weight of 156.27 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-methylbutanimidamide is sourced from PubChem (CID 21330946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).