3-N-(2,2-dimethyl-1,3-dioxan-5-yl)-1-N,1-N-dimethylbutane-1,3-diamine

C12H26N2O2 — CID 104872164

IUPAC3-N-(2,2-dimethyl-1,3-dioxan-5-yl)-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCC(CCN(C)C)NC1COC(C)(C)OC1
InChIInChI=1S/C12H26N2O2/c1-10(6-7-14(4)5)13-11-8-15-12(2,3)16-9-11/h10-11,13H,6-9H2,1-5H3
InChIKeyCTDNHXRHSZKJKM-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.07
Rot. Bonds5

About 3-N-(2,2-dimethyl-1,3-dioxan-5-yl)-1-N,1-N-dimethylbutane-1,3-diamine

3-N-(2,2-dimethyl-1,3-dioxan-5-yl)-1-N,1-N-dimethylbutane-1,3-diamine (PubChem CID 104872164) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 3-N-(2,2-dimethyl-1,3-dioxan-5-yl)-1-N,1-N-dimethylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-(2,2-dimethyl-1,3-dioxan-5-yl)-1-N,1-N-dimethylbutane-1,3-diamine
PubChem CID104872164
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name3-N-(2,2-dimethyl-1,3-dioxan-5-yl)-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCC(CCN(C)C)NC1COC(C)(C)OC1
InChIInChI=1S/C12H26N2O2/c1-10(6-7-14(4)5)13-11-8-15-12(2,3)16-9-11/h10-11,13H,6-9H2,1-5H3
InChIKeyCTDNHXRHSZKJKM-UHFFFAOYSA-N
XLogP1.07
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-N-(2,2-dimethyl-1,3-dioxan-5-yl)-1-N,1-N-dimethylbutane-1,3-diamine?
The IUPAC name of 3-N-(2,2-dimethyl-1,3-dioxan-5-yl)-1-N,1-N-dimethylbutane-1,3-diamine (CID 104872164) is 3-N-(2,2-dimethyl-1,3-dioxan-5-yl)-1-N,1-N-dimethylbutane-1,3-diamine.
What is the SMILES notation for 3-N-(2,2-dimethyl-1,3-dioxan-5-yl)-1-N,1-N-dimethylbutane-1,3-diamine?
The canonical SMILES for 3-N-(2,2-dimethyl-1,3-dioxan-5-yl)-1-N,1-N-dimethylbutane-1,3-diamine is CC(CCN(C)C)NC1COC(C)(C)OC1.
What is the InChIKey of 3-N-(2,2-dimethyl-1,3-dioxan-5-yl)-1-N,1-N-dimethylbutane-1,3-diamine?
The InChIKey is CTDNHXRHSZKJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-10(6-7-14(4)5)13-11-8-15-12(2,3)16-9-11/h10-11,13H,6-9H2,1-5H3.
What are the key properties of 3-N-(2,2-dimethyl-1,3-dioxan-5-yl)-1-N,1-N-dimethylbutane-1,3-diamine?
3-N-(2,2-dimethyl-1,3-dioxan-5-yl)-1-N,1-N-dimethylbutane-1,3-diamine has a molecular weight of 230.35 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2,2-dimethyl-1,3-dioxan-5-yl)-1-N,1-N-dimethylbutane-1,3-diamine is sourced from PubChem (CID 104872164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).