1,1-bis(aminomethoxy)butoxymethanamine

C7H19N3O3 — CID 57155830

IUPAC1,1-bis(aminomethoxy)butoxymethanamine
SMILESCCCC(OCN)(OCN)OCN
InChIInChI=1S/C7H19N3O3/c1-2-3-7(11-4-8,12-5-9)13-6-10/h2-6,8-10H2,1H3
InChIKeyMSLUJMQLAUWVDB-UHFFFAOYSA-N
MW193.25 g/mol
LogP-0.76
Rot. Bonds8

About 1,1-bis(aminomethoxy)butoxymethanamine

1,1-bis(aminomethoxy)butoxymethanamine (PubChem CID 57155830) has the molecular formula C7H19N3O3 and a molecular weight of 193.25 g/mol. Its IUPAC name is 1,1-bis(aminomethoxy)butoxymethanamine.

Molecular Properties

Compound Name1,1-bis(aminomethoxy)butoxymethanamine
PubChem CID57155830
Molecular FormulaC7H19N3O3
Molecular Weight193.25 g/mol
Exact Mass193.14
IUPAC Name1,1-bis(aminomethoxy)butoxymethanamine
SMILESCCCC(OCN)(OCN)OCN
InChIInChI=1S/C7H19N3O3/c1-2-3-7(11-4-8,12-5-9)13-6-10/h2-6,8-10H2,1H3
InChIKeyMSLUJMQLAUWVDB-UHFFFAOYSA-N
XLogP-0.76
TPSA105.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[1,1-bis(2-aminoethoxy)butoxy]ethanamine
CID 151090377
4-propylheptan-4-yloxymethanamine
CID 23136762
ruthenium;1,1,1-triethoxydecane
CID 157324278
3-[(3S)-2,2,3-trimethylhexan-3-yl]oxypropan-1-amine
CID 138567145
2-N-propan-2-yl-2-propylpentane-1,2-diamine
CID 62066790
ethoxymethanamine;methane
CID 162196031
(2R)-1-amino-2-methylpentan-2-ol
CID 51381277
3-chloro-1,1,1-triethoxypropane
CID 141390220
2-fluoro-2-methylpentan-1-amine
CID 84716027
2-(methoxymethyl)-2-methylpentan-1-amine
CID 103984443
2-methyl-2-(2-methylpentan-2-ylperoxy)pentane
CID 10910592
hexane-3,3-diamine
CID 18331048

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(aminomethoxy)butoxymethanamine?
The IUPAC name of 1,1-bis(aminomethoxy)butoxymethanamine (CID 57155830) is 1,1-bis(aminomethoxy)butoxymethanamine.
What is the SMILES notation for 1,1-bis(aminomethoxy)butoxymethanamine?
The canonical SMILES for 1,1-bis(aminomethoxy)butoxymethanamine is CCCC(OCN)(OCN)OCN.
What is the InChIKey of 1,1-bis(aminomethoxy)butoxymethanamine?
The InChIKey is MSLUJMQLAUWVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19N3O3/c1-2-3-7(11-4-8,12-5-9)13-6-10/h2-6,8-10H2,1H3.
What are the key properties of 1,1-bis(aminomethoxy)butoxymethanamine?
1,1-bis(aminomethoxy)butoxymethanamine has a molecular weight of 193.25 g/mol, XLogP of -0.76, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(aminomethoxy)butoxymethanamine is sourced from PubChem (CID 57155830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).