2-N,3-N-bis(3-methoxypropyl)butane-2,3-diimine

C12H24N2O2 — CID 11182393

IUPAC2-N,3-N-bis(3-methoxypropyl)butane-2,3-diimine
SMILESCOCCC/N=C(C)/C(C)=N/CCCOC
InChIInChI=1S/C12H24N2O2/c1-11(13-7-5-9-15-3)12(2)14-8-6-10-16-4/h5-10H2,1-4H3/b13-11+,14-12+
InChIKeyCKLPDVKVWOLPKH-PHEQNACWSA-N
MW228.34 g/mol
LogP1.98
Rot. Bonds9

About 2-N,3-N-bis(3-methoxypropyl)butane-2,3-diimine

2-N,3-N-bis(3-methoxypropyl)butane-2,3-diimine (PubChem CID 11182393) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-N,3-N-bis(3-methoxypropyl)butane-2,3-diimine.

Molecular Properties

Compound Name2-N,3-N-bis(3-methoxypropyl)butane-2,3-diimine
PubChem CID11182393
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-N,3-N-bis(3-methoxypropyl)butane-2,3-diimine
SMILESCOCCC/N=C(C)/C(C)=N/CCCOC
InChIInChI=1S/C12H24N2O2/c1-11(13-7-5-9-15-3)12(2)14-8-6-10-16-4/h5-10H2,1-4H3/b13-11+,14-12+
InChIKeyCKLPDVKVWOLPKH-PHEQNACWSA-N
XLogP1.98
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-amino-2-(4-methoxybutyl)guanidine
CID 64866664
N'-(4-methoxybutyl)-2,2-dimethylpropanimidamide
CID 63177169
3-amino-1-(2-methoxyethyl)-1,2-bis(3-methoxypropyl)guanidine
CID 104884958
2-hydroxyimino-N'-(3-methoxypropyl)-N,N-dimethylethanimidamide;hydrochloride
CID 136598189
1-(aminodiazenyl)-3-methoxypropane
CID 53441469
1,2,3-tris(5-methoxypentyl)guanidine
CID 102441761
2-[N-(3-methoxypropyl)-C-methylcarbonimidoyl]indene-1,3-dione
CID 7037644
1,3-bis[N,N'-di(propan-2-yl)carbamimidoyl]-2-(3-methoxypropyl)guanidine
CID 71511720
1,3-diethyl-2-[3-(2-methoxyethoxy)propyl]guanidine
CID 110926989
(NE)-N-(3-pentyliminobutan-2-ylidene)hydroxylamine
CID 177494784
1-butan-2-yl-3-ethyl-2-(3-methoxypropyl)guanidine;hydroiodide
CID 110944617
1-tert-butyl-2-(5-methoxypentyl)guanidine
CID 103646401

Frequently Asked Questions

What is the IUPAC name of 2-N,3-N-bis(3-methoxypropyl)butane-2,3-diimine?
The IUPAC name of 2-N,3-N-bis(3-methoxypropyl)butane-2,3-diimine (CID 11182393) is 2-N,3-N-bis(3-methoxypropyl)butane-2,3-diimine.
What is the SMILES notation for 2-N,3-N-bis(3-methoxypropyl)butane-2,3-diimine?
The canonical SMILES for 2-N,3-N-bis(3-methoxypropyl)butane-2,3-diimine is COCCC/N=C(C)/C(C)=N/CCCOC.
What is the InChIKey of 2-N,3-N-bis(3-methoxypropyl)butane-2,3-diimine?
The InChIKey is CKLPDVKVWOLPKH-PHEQNACWSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-11(13-7-5-9-15-3)12(2)14-8-6-10-16-4/h5-10H2,1-4H3/b13-11+,14-12+.
What are the key properties of 2-N,3-N-bis(3-methoxypropyl)butane-2,3-diimine?
2-N,3-N-bis(3-methoxypropyl)butane-2,3-diimine has a molecular weight of 228.34 g/mol, XLogP of 1.98, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N-bis(3-methoxypropyl)butane-2,3-diimine is sourced from PubChem (CID 11182393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).