2,2-dimethyl-6-[2-methylpropyl(propan-2-yl)amino]hexanimidamide

C15H33N3 — CID 106712046

IUPAC2,2-dimethyl-6-[2-methylpropyl(propan-2-yl)amino]hexanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCCN(CC(C)C)C(C)C
InChIInChI=1S/C15H33N3/c1-12(2)11-18(13(3)4)10-8-7-9-15(5,6)14(16)17/h12-13H,7-11H2,1-6H3,(H3,16,17)
InChIKeyMUPCWHFCGKXEIG-UHFFFAOYSA-N
MW255.45 g/mol
LogP3.49
Rot. Bonds9

About 2,2-dimethyl-6-[2-methylpropyl(propan-2-yl)amino]hexanimidamide

2,2-dimethyl-6-[2-methylpropyl(propan-2-yl)amino]hexanimidamide (PubChem CID 106712046) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is 2,2-dimethyl-6-[2-methylpropyl(propan-2-yl)amino]hexanimidamide.

Molecular Properties

Compound Name2,2-dimethyl-6-[2-methylpropyl(propan-2-yl)amino]hexanimidamide
PubChem CID106712046
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC Name2,2-dimethyl-6-[2-methylpropyl(propan-2-yl)amino]hexanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCCN(CC(C)C)C(C)C
InChIInChI=1S/C15H33N3/c1-12(2)11-18(13(3)4)10-8-7-9-15(5,6)14(16)17/h12-13H,7-11H2,1-6H3,(H3,16,17)
InChIKeyMUPCWHFCGKXEIG-UHFFFAOYSA-N
XLogP3.49
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

2,2-dimethyl-5-[pentyl(propan-2-yl)amino]pentanimidamide
CID 65258572
2,2-dimethyl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 65258329
6-[butan-2-yl(methyl)amino]-2,2-dimethylhexanimidamide
CID 106711950
2,2-dimethyl-5-[2-methylpropyl(propan-2-yl)amino]pentanethioamide
CID 65260199
6-(diethylamino)-2,2-dimethylhexanimidamide
CID 106711904
5-[cyclopropyl(2-methylpropyl)amino]-2,2-dimethylpentanimidamide
CID 65258573
1-amino-2-methyl-6-[2-methylpropyl(propan-2-yl)amino]hexan-2-ol
CID 64819799
4-[2-methoxyethyl(propan-2-yl)amino]-2,2-dimethylbutanimidamide
CID 82951402
2,2-dimethyloctanimidamide
CID 58158153
6-[ethyl(3-hydroxypropyl)amino]-2,2-dimethylhexanimidamide
CID 106712213
5-[2-methoxyethyl(pentan-3-yl)amino]-2,2-dimethylpentanimidamide
CID 65258033
6-[cyclopropyl(ethyl)amino]-2,2-dimethylhexanimidamide
CID 106711942

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-[2-methylpropyl(propan-2-yl)amino]hexanimidamide?
The IUPAC name of 2,2-dimethyl-6-[2-methylpropyl(propan-2-yl)amino]hexanimidamide (CID 106712046) is 2,2-dimethyl-6-[2-methylpropyl(propan-2-yl)amino]hexanimidamide.
What is the SMILES notation for 2,2-dimethyl-6-[2-methylpropyl(propan-2-yl)amino]hexanimidamide?
The canonical SMILES for 2,2-dimethyl-6-[2-methylpropyl(propan-2-yl)amino]hexanimidamide is [H]/N=C(\N)C(C)(C)CCCCN(CC(C)C)C(C)C.
What is the InChIKey of 2,2-dimethyl-6-[2-methylpropyl(propan-2-yl)amino]hexanimidamide?
The InChIKey is MUPCWHFCGKXEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3/c1-12(2)11-18(13(3)4)10-8-7-9-15(5,6)14(16)17/h12-13H,7-11H2,1-6H3,(H3,16,17).
What are the key properties of 2,2-dimethyl-6-[2-methylpropyl(propan-2-yl)amino]hexanimidamide?
2,2-dimethyl-6-[2-methylpropyl(propan-2-yl)amino]hexanimidamide has a molecular weight of 255.45 g/mol, XLogP of 3.49, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-[2-methylpropyl(propan-2-yl)amino]hexanimidamide is sourced from PubChem (CID 106712046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).