N-(2,2-dimethylpropyl)-N-methylpropanimidamide

C9H20N2 — CID 63177754

IUPACN-(2,2-dimethylpropyl)-N-methylpropanimidamide
SMILES[H]/N=C(\CC)N(C)CC(C)(C)C
InChIInChI=1S/C9H20N2/c1-6-8(10)11(5)7-9(2,3)4/h10H,6-7H2,1-5H3/b10-8+
InChIKeyHWSDQHBCSXSFNC-CSKARUKUSA-N
MW156.27 g/mol
LogP2.35
Rot. Bonds2

About N-(2,2-dimethylpropyl)-N-methylpropanimidamide

N-(2,2-dimethylpropyl)-N-methylpropanimidamide (PubChem CID 63177754) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-N-methylpropanimidamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-N-methylpropanimidamide
PubChem CID63177754
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC NameN-(2,2-dimethylpropyl)-N-methylpropanimidamide
SMILES[H]/N=C(\CC)N(C)CC(C)(C)C
InChIInChI=1S/C9H20N2/c1-6-8(10)11(5)7-9(2,3)4/h10H,6-7H2,1-5H3/b10-8+
InChIKeyHWSDQHBCSXSFNC-CSKARUKUSA-N
XLogP2.35
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-N-methylpropanimidamide?
The IUPAC name of N-(2,2-dimethylpropyl)-N-methylpropanimidamide (CID 63177754) is N-(2,2-dimethylpropyl)-N-methylpropanimidamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-N-methylpropanimidamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-N-methylpropanimidamide is [H]/N=C(\CC)N(C)CC(C)(C)C.
What is the InChIKey of N-(2,2-dimethylpropyl)-N-methylpropanimidamide?
The InChIKey is HWSDQHBCSXSFNC-CSKARUKUSA-N. The full InChI is InChI=1S/C9H20N2/c1-6-8(10)11(5)7-9(2,3)4/h10H,6-7H2,1-5H3/b10-8+.
What are the key properties of N-(2,2-dimethylpropyl)-N-methylpropanimidamide?
N-(2,2-dimethylpropyl)-N-methylpropanimidamide has a molecular weight of 156.27 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-N-methylpropanimidamide is sourced from PubChem (CID 63177754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).