1-[bis(2-aminobutoxy)-silylmethoxy]butan-2-amine

C13H33N3O3Si — CID 172681009

IUPAC1-[bis(2-aminobutoxy)-silylmethoxy]butan-2-amine
SMILESCCC(N)COC([SiH3])(OCC(N)CC)OCC(N)CC
InChIInChI=1S/C13H33N3O3Si/c1-4-10(14)7-17-13(20,18-8-11(15)5-2)19-9-12(16)6-3/h10-12H,4-9,14-16H2,1-3,20H3
InChIKeyAJYWCVZJVCSDAN-UHFFFAOYSA-N
MW307.51 g/mol
LogP-0.78
Rot. Bonds12

About 1-[bis(2-aminobutoxy)-silylmethoxy]butan-2-amine

1-[bis(2-aminobutoxy)-silylmethoxy]butan-2-amine (PubChem CID 172681009) has the molecular formula C13H33N3O3Si and a molecular weight of 307.51 g/mol. Its IUPAC name is 1-[bis(2-aminobutoxy)-silylmethoxy]butan-2-amine.

Molecular Properties

Compound Name1-[bis(2-aminobutoxy)-silylmethoxy]butan-2-amine
PubChem CID172681009
Molecular FormulaC13H33N3O3Si
Molecular Weight307.51 g/mol
Exact Mass307.23
IUPAC Name1-[bis(2-aminobutoxy)-silylmethoxy]butan-2-amine
SMILESCCC(N)COC([SiH3])(OCC(N)CC)OCC(N)CC
InChIInChI=1S/C13H33N3O3Si/c1-4-10(14)7-17-13(20,18-8-11(15)5-2)19-9-12(16)6-3/h10-12H,4-9,14-16H2,1-3,20H3
InChIKeyAJYWCVZJVCSDAN-UHFFFAOYSA-N
XLogP-0.78
TPSA105.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.51
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-[(2-methylpropan-2-yl)oxy]butan-2-amine;hydrochloride
CID 155820922
(2R)-1-(trifluoromethoxy)butan-2-amine;hydrochloride
CID 139026390
1-[2-(2-aminopropoxy)propan-2-yloxy]butan-2-amine
CID 166955876
1-(2-methoxybutan-2-yloxy)butan-2-amine
CID 137419185
pentan-3-amine;hydroiodide
CID 173436389
2-aminobutyl hypochlorite;N,N-dimethylmethanamine
CID 88777297
2-aminobutyl nitrite
CID 87072378
1-(2-propoxyethoxy)butan-2-amine
CID 63685815
2-aminobutyl 2-methylpropanoate
CID 123412425
5-methyl-5-silyloxyhexan-3-amine
CID 173027974
(5R)-heptane-3,5-diamine
CID 118180613
7-(2-aminobutoxy)heptan-3-amine
CID 174656192

Frequently Asked Questions

What is the IUPAC name of 1-[bis(2-aminobutoxy)-silylmethoxy]butan-2-amine?
The IUPAC name of 1-[bis(2-aminobutoxy)-silylmethoxy]butan-2-amine (CID 172681009) is 1-[bis(2-aminobutoxy)-silylmethoxy]butan-2-amine.
What is the SMILES notation for 1-[bis(2-aminobutoxy)-silylmethoxy]butan-2-amine?
The canonical SMILES for 1-[bis(2-aminobutoxy)-silylmethoxy]butan-2-amine is CCC(N)COC([SiH3])(OCC(N)CC)OCC(N)CC.
What is the InChIKey of 1-[bis(2-aminobutoxy)-silylmethoxy]butan-2-amine?
The InChIKey is AJYWCVZJVCSDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H33N3O3Si/c1-4-10(14)7-17-13(20,18-8-11(15)5-2)19-9-12(16)6-3/h10-12H,4-9,14-16H2,1-3,20H3.
What are the key properties of 1-[bis(2-aminobutoxy)-silylmethoxy]butan-2-amine?
1-[bis(2-aminobutoxy)-silylmethoxy]butan-2-amine has a molecular weight of 307.51 g/mol, XLogP of -0.78, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(2-aminobutoxy)-silylmethoxy]butan-2-amine is sourced from PubChem (CID 172681009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).