3-N-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-N-methylbutane-1,3-diamine

C14H28N2O2 — CID 79897986

IUPAC3-N-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-N-methylbutane-1,3-diamine
SMILESCC(CCN)N(C)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C14H28N2O2/c1-12(3-7-15)16(2)13-4-8-18-14(11-13)5-9-17-10-6-14/h12-13H,3-11,15H2,1-2H3
InChIKeyQSYQQAVNYBJFAK-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.38
Rot. Bonds4

About 3-N-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-N-methylbutane-1,3-diamine

3-N-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-N-methylbutane-1,3-diamine (PubChem CID 79897986) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-N-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-N-methylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-N-methylbutane-1,3-diamine
PubChem CID79897986
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name3-N-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-N-methylbutane-1,3-diamine
SMILESCC(CCN)N(C)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C14H28N2O2/c1-12(3-7-15)16(2)13-4-8-18-14(11-13)5-9-17-10-6-14/h12-13H,3-11,15H2,1-2H3
InChIKeyQSYQQAVNYBJFAK-UHFFFAOYSA-N
XLogP1.38
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-methyl-3-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butane-1,3-diamine
CID 79897829
2-N-methyl-2-N-(6-oxaspiro[4.5]decan-9-yl)propane-1,2-diamine
CID 104556896
3-N-methyl-3-N-(oxolan-3-yl)butane-1,3-diamine
CID 63556588
1-cyclopropyl-N-methyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethane-1,2-diamine
CID 116652448
3-[1,9-dioxaspiro[5.5]undecan-4-yl(methyl)amino]propanenitrile
CID 79903565
N'-(6-oxaspiro[4.5]decan-9-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 79905220
N',2-dimethyl-N'-(1-oxaspiro[5.5]undecan-4-yl)propane-1,3-diamine
CID 79897985
N'-ethyl-2-methyl-N'-(6-oxaspiro[4.5]decan-9-yl)propane-1,3-diamine
CID 79897597
2-[1,9-dioxaspiro[5.5]undecan-4-yl(ethyl)amino]acetic acid
CID 79894049
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylpentan-1-amine
CID 79915399
N'-ethyl-N'-(6-oxaspiro[4.5]decan-9-yl)ethane-1,2-diamine
CID 79898283
ethyl 2-[cyclopropyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]acetate
CID 79909780

Frequently Asked Questions

What is the IUPAC name of 3-N-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-N-methylbutane-1,3-diamine?
The IUPAC name of 3-N-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-N-methylbutane-1,3-diamine (CID 79897986) is 3-N-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-N-methylbutane-1,3-diamine.
What is the SMILES notation for 3-N-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-N-methylbutane-1,3-diamine?
The canonical SMILES for 3-N-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-N-methylbutane-1,3-diamine is CC(CCN)N(C)C1CCOC2(CCOCC2)C1.
What is the InChIKey of 3-N-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-N-methylbutane-1,3-diamine?
The InChIKey is QSYQQAVNYBJFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-12(3-7-15)16(2)13-4-8-18-14(11-13)5-9-17-10-6-14/h12-13H,3-11,15H2,1-2H3.
What are the key properties of 3-N-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-N-methylbutane-1,3-diamine?
3-N-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-N-methylbutane-1,3-diamine has a molecular weight of 256.39 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-N-methylbutane-1,3-diamine is sourced from PubChem (CID 79897986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).