N'-butyl-N,N,2-trimethylpropanimidamide

C10H22N2 — CID 525896

IUPACN'-butyl-N,N,2-trimethylpropanimidamide
SMILESCCCC/N=C(\C(C)C)N(C)C
InChIInChI=1S/C10H22N2/c1-6-7-8-11-10(9(2)3)12(4)5/h9H,6-8H2,1-5H3/b11-10+
InChIKeyPNCFMEMCGFYVJL-ZHACJKMWSA-N
MW170.30 g/mol
LogP2.40
Rot. Bonds4

About N'-butyl-N,N,2-trimethylpropanimidamide

N'-butyl-N,N,2-trimethylpropanimidamide (PubChem CID 525896) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is N'-butyl-N,N,2-trimethylpropanimidamide.

Molecular Properties

Compound NameN'-butyl-N,N,2-trimethylpropanimidamide
PubChem CID525896
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC NameN'-butyl-N,N,2-trimethylpropanimidamide
SMILESCCCC/N=C(\C(C)C)N(C)C
InChIInChI=1S/C10H22N2/c1-6-7-8-11-10(9(2)3)12(4)5/h9H,6-8H2,1-5H3/b11-10+
InChIKeyPNCFMEMCGFYVJL-ZHACJKMWSA-N
XLogP2.40
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-Dimethyl-3,4-dihydro-2H-pyrrol-5-amine
CID 13447029
N'-Butyl-N,N-dimethyl-acetamidine
CID 525277
N'-Isobutyl-N,N-dimethyl-acetamidine
CID 525281
N,N-Dimethyl-N'-hexyl-propionamidine
CID 525841
N,N-Dimethyl-N'-propyl-isobutyramidine
CID 525846
N,N-dimethyl-N'-propylpropanimidamide
CID 22211913
N,N-Dimethyl-N'-butyl-propionamidine
CID 525837
N,N-Dimethyl-N'-pentyl-propionamidine
CID 525844
N,N-Dimethyl-N'-butyl-pivalamidine
CID 525897
N,N-Dimethyl-N'-heptyl-isobutyramidine
CID 525902
N,N-Dimethyl-N'-hexyl-isobutyramidine
CID 525904
N,N-Dimethyl-N'-nonyl-isobutyramidine
CID 525906

Frequently Asked Questions

What is the IUPAC name of N'-butyl-N,N,2-trimethylpropanimidamide?
The IUPAC name of N'-butyl-N,N,2-trimethylpropanimidamide (CID 525896) is N'-butyl-N,N,2-trimethylpropanimidamide.
What is the SMILES notation for N'-butyl-N,N,2-trimethylpropanimidamide?
The canonical SMILES for N'-butyl-N,N,2-trimethylpropanimidamide is CCCC/N=C(\C(C)C)N(C)C.
What is the InChIKey of N'-butyl-N,N,2-trimethylpropanimidamide?
The InChIKey is PNCFMEMCGFYVJL-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H22N2/c1-6-7-8-11-10(9(2)3)12(4)5/h9H,6-8H2,1-5H3/b11-10+.
What are the key properties of N'-butyl-N,N,2-trimethylpropanimidamide?
N'-butyl-N,N,2-trimethylpropanimidamide has a molecular weight of 170.30 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N,N,2-trimethylpropanimidamide is sourced from PubChem (CID 525896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).