2,2-dimethyl-4-[methyl(propyl)amino]butanimidamide

C10H23N3 — CID 65250610

IUPAC2,2-dimethyl-4-[methyl(propyl)amino]butanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCN(C)CCC
InChIInChI=1S/C10H23N3/c1-5-7-13(4)8-6-10(2,3)9(11)12/h5-8H2,1-4H3,(H3,11,12)
InChIKeyFCMFHYXMOBMVPJ-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.68
Rot. Bonds6

About 2,2-dimethyl-4-[methyl(propyl)amino]butanimidamide

2,2-dimethyl-4-[methyl(propyl)amino]butanimidamide (PubChem CID 65250610) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is 2,2-dimethyl-4-[methyl(propyl)amino]butanimidamide.

Molecular Properties

Compound Name2,2-dimethyl-4-[methyl(propyl)amino]butanimidamide
PubChem CID65250610
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC Name2,2-dimethyl-4-[methyl(propyl)amino]butanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCN(C)CCC
InChIInChI=1S/C10H23N3/c1-5-7-13(4)8-6-10(2,3)9(11)12/h5-8H2,1-4H3,(H3,11,12)
InChIKeyFCMFHYXMOBMVPJ-UHFFFAOYSA-N
XLogP1.68
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.68
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 2,2-dimethyl-4-[methyl(propyl)amino]butanimidamide?
The IUPAC name of 2,2-dimethyl-4-[methyl(propyl)amino]butanimidamide (CID 65250610) is 2,2-dimethyl-4-[methyl(propyl)amino]butanimidamide.
What is the SMILES notation for 2,2-dimethyl-4-[methyl(propyl)amino]butanimidamide?
The canonical SMILES for 2,2-dimethyl-4-[methyl(propyl)amino]butanimidamide is [H]/N=C(\N)C(C)(C)CCN(C)CCC.
What is the InChIKey of 2,2-dimethyl-4-[methyl(propyl)amino]butanimidamide?
The InChIKey is FCMFHYXMOBMVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3/c1-5-7-13(4)8-6-10(2,3)9(11)12/h5-8H2,1-4H3,(H3,11,12).
What are the key properties of 2,2-dimethyl-4-[methyl(propyl)amino]butanimidamide?
2,2-dimethyl-4-[methyl(propyl)amino]butanimidamide has a molecular weight of 185.31 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[methyl(propyl)amino]butanimidamide is sourced from PubChem (CID 65250610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).