3-[methyl(2-methylbutan-2-yl)amino]pentanimidamide

C11H25N3 — CID 63982121

IUPAC3-[methyl(2-methylbutan-2-yl)amino]pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N(C)C(C)(C)CC
InChIInChI=1S/C11H25N3/c1-6-9(8-10(12)13)14(5)11(3,4)7-2/h9H,6-8H2,1-5H3,(H3,12,13)
InChIKeyGFGHEQQVLHMMRM-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.21
Rot. Bonds6

About 3-[methyl(2-methylbutan-2-yl)amino]pentanimidamide

3-[methyl(2-methylbutan-2-yl)amino]pentanimidamide (PubChem CID 63982121) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is 3-[methyl(2-methylbutan-2-yl)amino]pentanimidamide.

Molecular Properties

Compound Name3-[methyl(2-methylbutan-2-yl)amino]pentanimidamide
PubChem CID63982121
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC Name3-[methyl(2-methylbutan-2-yl)amino]pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N(C)C(C)(C)CC
InChIInChI=1S/C11H25N3/c1-6-9(8-10(12)13)14(5)11(3,4)7-2/h9H,6-8H2,1-5H3,(H3,12,13)
InChIKeyGFGHEQQVLHMMRM-UHFFFAOYSA-N
XLogP2.21
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.21
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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Related Compounds

3-[2-hydroxypropyl(methyl)amino]pentanimidamide
CID 62334468
2-[methyl(2-methylbutan-2-yl)amino]butanimidamide
CID 63981285
3-[(1-hydroxycyclopentyl)methyl-methylamino]pentanimidamide
CID 114949780
3-[bis(2-methoxyethyl)amino]pentanimidamide
CID 61418773
3-[methyl(oxan-4-yl)amino]pentanimidamide
CID 43611267
3-[(2-chlorophenyl)methyl-methylamino]pentanimidamide
CID 61417055
3-aminopentanimidamide
CID 79498775
3-[3,3-dimethylbutyl(methyl)amino]butanimidamide
CID 63225019
3-methylbutanimidamide;hydrochloride
CID 18967932
2-[methyl(2-methylbutan-2-yl)amino]butanethioamide
CID 63981250
3-(diethylamino)butanimidamide
CID 60913341
3-[cyclohexyl(2-hydroxyethyl)amino]pentanimidamide
CID 54994326

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(2-methylbutan-2-yl)amino]pentanimidamide?
The IUPAC name of 3-[methyl(2-methylbutan-2-yl)amino]pentanimidamide (CID 63982121) is 3-[methyl(2-methylbutan-2-yl)amino]pentanimidamide.
What is the SMILES notation for 3-[methyl(2-methylbutan-2-yl)amino]pentanimidamide?
The canonical SMILES for 3-[methyl(2-methylbutan-2-yl)amino]pentanimidamide is [H]/N=C(\N)CC(CC)N(C)C(C)(C)CC.
What is the InChIKey of 3-[methyl(2-methylbutan-2-yl)amino]pentanimidamide?
The InChIKey is GFGHEQQVLHMMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3/c1-6-9(8-10(12)13)14(5)11(3,4)7-2/h9H,6-8H2,1-5H3,(H3,12,13).
What are the key properties of 3-[methyl(2-methylbutan-2-yl)amino]pentanimidamide?
3-[methyl(2-methylbutan-2-yl)amino]pentanimidamide has a molecular weight of 199.34 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(2-methylbutan-2-yl)amino]pentanimidamide is sourced from PubChem (CID 63982121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).