2,2-dimethyl-6-[methyl(oxan-2-ylmethyl)amino]hexanimidamide

C15H31N3O — CID 106712008

IUPAC2,2-dimethyl-6-[methyl(oxan-2-ylmethyl)amino]hexanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCCN(C)CC1CCCCO1
InChIInChI=1S/C15H31N3O/c1-15(2,14(16)17)9-5-6-10-18(3)12-13-8-4-7-11-19-13/h13H,4-12H2,1-3H3,(H3,16,17)
InChIKeyUFYVHKJDQOMGCA-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.62
Rot. Bonds8

About 2,2-dimethyl-6-[methyl(oxan-2-ylmethyl)amino]hexanimidamide

2,2-dimethyl-6-[methyl(oxan-2-ylmethyl)amino]hexanimidamide (PubChem CID 106712008) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2,2-dimethyl-6-[methyl(oxan-2-ylmethyl)amino]hexanimidamide.

Molecular Properties

Compound Name2,2-dimethyl-6-[methyl(oxan-2-ylmethyl)amino]hexanimidamide
PubChem CID106712008
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2,2-dimethyl-6-[methyl(oxan-2-ylmethyl)amino]hexanimidamide
SMILES[H]/N=C(\N)C(C)(C)CCCCN(C)CC1CCCCO1
InChIInChI=1S/C15H31N3O/c1-15(2,14(16)17)9-5-6-10-18(3)12-13-8-4-7-11-19-13/h13H,4-12H2,1-3H3,(H3,16,17)
InChIKeyUFYVHKJDQOMGCA-UHFFFAOYSA-N
XLogP2.62
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-6-[methyl(oxolan-2-ylmethyl)amino]hexanoic acid
CID 106713969
N',2,2-trimethyl-N'-(oxolan-2-ylmethyl)hexane-1,6-diamine
CID 106707977
6-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2,2-dimethylhexanimidamide
CID 106712168
6-[methyl(oxan-2-ylmethyl)amino]hexan-1-ol
CID 103737833
N-methyl-N-(oxan-2-ylmethyl)propan-1-amine
CID 169307436
N-methyl-N-(oxepan-2-ylmethyl)propan-1-amine
CID 169307437
N,N'-dimethyl-N'-(oxan-2-ylmethyl)butane-1,4-diamine
CID 61436273
3-(aminomethyl)-6-[methyl(oxolan-2-ylmethyl)amino]hexan-3-ol
CID 106811255
6-[cyclohexyl(2-hydroxyethyl)amino]-2,2-dimethylhexanimidamide
CID 106712040
3-[methyl(oxolan-2-ylmethyl)amino]propan-1-ol
CID 60965354
2-amino-2-ethyl-5-[methyl(oxolan-2-ylmethyl)amino]pentanoic acid
CID 106805981
N',2,2-trimethyl-N'-(oxolan-2-ylmethyl)butane-1,4-diamine
CID 65246933

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-[methyl(oxan-2-ylmethyl)amino]hexanimidamide?
The IUPAC name of 2,2-dimethyl-6-[methyl(oxan-2-ylmethyl)amino]hexanimidamide (CID 106712008) is 2,2-dimethyl-6-[methyl(oxan-2-ylmethyl)amino]hexanimidamide.
What is the SMILES notation for 2,2-dimethyl-6-[methyl(oxan-2-ylmethyl)amino]hexanimidamide?
The canonical SMILES for 2,2-dimethyl-6-[methyl(oxan-2-ylmethyl)amino]hexanimidamide is [H]/N=C(\N)C(C)(C)CCCCN(C)CC1CCCCO1.
What is the InChIKey of 2,2-dimethyl-6-[methyl(oxan-2-ylmethyl)amino]hexanimidamide?
The InChIKey is UFYVHKJDQOMGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-15(2,14(16)17)9-5-6-10-18(3)12-13-8-4-7-11-19-13/h13H,4-12H2,1-3H3,(H3,16,17).
What are the key properties of 2,2-dimethyl-6-[methyl(oxan-2-ylmethyl)amino]hexanimidamide?
2,2-dimethyl-6-[methyl(oxan-2-ylmethyl)amino]hexanimidamide has a molecular weight of 269.43 g/mol, XLogP of 2.62, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-[methyl(oxan-2-ylmethyl)amino]hexanimidamide is sourced from PubChem (CID 106712008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).