7-methoxy-3-N,3-N,3-trimethylheptane-3,4-diamine

C11H26N2O — CID 114856218

IUPAC7-methoxy-3-N,3-N,3-trimethylheptane-3,4-diamine
SMILESCCC(C)(C(N)CCCOC)N(C)C
InChIInChI=1S/C11H26N2O/c1-6-11(2,13(3)4)10(12)8-7-9-14-5/h10H,6-9,12H2,1-5H3
InChIKeyBBOQORPUJKNZHJ-UHFFFAOYSA-N
MW202.34 g/mol
LogP1.47
Rot. Bonds7

About 7-methoxy-3-N,3-N,3-trimethylheptane-3,4-diamine

7-methoxy-3-N,3-N,3-trimethylheptane-3,4-diamine (PubChem CID 114856218) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is 7-methoxy-3-N,3-N,3-trimethylheptane-3,4-diamine.

Molecular Properties

Compound Name7-methoxy-3-N,3-N,3-trimethylheptane-3,4-diamine
PubChem CID114856218
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC Name7-methoxy-3-N,3-N,3-trimethylheptane-3,4-diamine
SMILESCCC(C)(C(N)CCCOC)N(C)C
InChIInChI=1S/C11H26N2O/c1-6-11(2,13(3)4)10(12)8-7-9-14-5/h10H,6-9,12H2,1-5H3
InChIKeyBBOQORPUJKNZHJ-UHFFFAOYSA-N
XLogP1.47
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-1-N-methyl-1-N-(2-methylbutan-2-yl)pentane-1,2-diamine
CID 81101412
7-methoxy-2,2-dimethylheptan-3-amine
CID 60926793
4-hydrazinyl-7-methoxy-N,N,3,5-tetramethylheptan-3-amine
CID 105240456
1-methoxy-6,6-dimethylheptan-4-amine
CID 115619597
5-methoxy-1-N,1-N-dimethylpentane-1,2-diamine
CID 81101856
(2S)-5-methoxypentan-2-amine
CID 93315322
1-methoxyheptan-4-amine
CID 43370439
(3R)-1-methoxy-4,4-dimethylpentan-3-amine
CID 94424663
1-amino-4-methoxybutan-1-ol
CID 57141832
2-[(2-amino-5-methoxypentanoyl)-methylamino]-2-methylpropanoic acid
CID 81088551
2-N,2-N,2-trimethylnonane-2,3-diamine
CID 79053375
1-(1-amino-4-methoxybutyl)-N,N-dimethylcycloheptan-1-amine
CID 114856330

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-N,3-N,3-trimethylheptane-3,4-diamine?
The IUPAC name of 7-methoxy-3-N,3-N,3-trimethylheptane-3,4-diamine (CID 114856218) is 7-methoxy-3-N,3-N,3-trimethylheptane-3,4-diamine.
What is the SMILES notation for 7-methoxy-3-N,3-N,3-trimethylheptane-3,4-diamine?
The canonical SMILES for 7-methoxy-3-N,3-N,3-trimethylheptane-3,4-diamine is CCC(C)(C(N)CCCOC)N(C)C.
What is the InChIKey of 7-methoxy-3-N,3-N,3-trimethylheptane-3,4-diamine?
The InChIKey is BBOQORPUJKNZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O/c1-6-11(2,13(3)4)10(12)8-7-9-14-5/h10H,6-9,12H2,1-5H3.
What are the key properties of 7-methoxy-3-N,3-N,3-trimethylheptane-3,4-diamine?
7-methoxy-3-N,3-N,3-trimethylheptane-3,4-diamine has a molecular weight of 202.34 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-N,3-N,3-trimethylheptane-3,4-diamine is sourced from PubChem (CID 114856218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).