N,2-dimethyl-N-(3-methyl-2-methylidenebutyl)propanimidamide

C11H22N2 — CID 170370026

IUPACN,2-dimethyl-N-(3-methyl-2-methylidenebutyl)propanimidamide
SMILES[H]/N=C(\C(C)C)N(C)CC(=C)C(C)C
InChIInChI=1S/C11H22N2/c1-8(2)10(5)7-13(6)11(12)9(3)4/h8-9,12H,5,7H2,1-4,6H3/b12-11+
InChIKeyUIPJIGSBKJMISO-VAWYXSNFSA-N
MW182.31 g/mol
LogP2.76
Rot. Bonds4

About N,2-dimethyl-N-(3-methyl-2-methylidenebutyl)propanimidamide

N,2-dimethyl-N-(3-methyl-2-methylidenebutyl)propanimidamide (PubChem CID 170370026) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N,2-dimethyl-N-(3-methyl-2-methylidenebutyl)propanimidamide.

Molecular Properties

Compound NameN,2-dimethyl-N-(3-methyl-2-methylidenebutyl)propanimidamide
PubChem CID170370026
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN,2-dimethyl-N-(3-methyl-2-methylidenebutyl)propanimidamide
SMILES[H]/N=C(\C(C)C)N(C)CC(=C)C(C)C
InChIInChI=1S/C11H22N2/c1-8(2)10(5)7-13(6)11(12)9(3)4/h8-9,12H,5,7H2,1-4,6H3/b12-11+
InChIKeyUIPJIGSBKJMISO-VAWYXSNFSA-N
XLogP2.76
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.76
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(3-methyl-2-methylidenebutyl)propanimidamide?
The IUPAC name of N,2-dimethyl-N-(3-methyl-2-methylidenebutyl)propanimidamide (CID 170370026) is N,2-dimethyl-N-(3-methyl-2-methylidenebutyl)propanimidamide.
What is the SMILES notation for N,2-dimethyl-N-(3-methyl-2-methylidenebutyl)propanimidamide?
The canonical SMILES for N,2-dimethyl-N-(3-methyl-2-methylidenebutyl)propanimidamide is [H]/N=C(\C(C)C)N(C)CC(=C)C(C)C.
What is the InChIKey of N,2-dimethyl-N-(3-methyl-2-methylidenebutyl)propanimidamide?
The InChIKey is UIPJIGSBKJMISO-VAWYXSNFSA-N. The full InChI is InChI=1S/C11H22N2/c1-8(2)10(5)7-13(6)11(12)9(3)4/h8-9,12H,5,7H2,1-4,6H3/b12-11+.
What are the key properties of N,2-dimethyl-N-(3-methyl-2-methylidenebutyl)propanimidamide?
N,2-dimethyl-N-(3-methyl-2-methylidenebutyl)propanimidamide has a molecular weight of 182.31 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(3-methyl-2-methylidenebutyl)propanimidamide is sourced from PubChem (CID 170370026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).