N'-butyl-N'-(5-oxaspiro[3.5]nonan-8-yl)ethane-1,2-diamine

C14H28N2O — CID 79920705

IUPACN'-butyl-N'-(5-oxaspiro[3.5]nonan-8-yl)ethane-1,2-diamine
SMILESCCCCN(CCN)C1CCOC2(CCC2)C1
InChIInChI=1S/C14H28N2O/c1-2-3-9-16(10-8-15)13-5-11-17-14(12-13)6-4-7-14/h13H,2-12,15H2,1H3
InChIKeyDMBZWZHTQUDNBI-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.15
Rot. Bonds6

About N'-butyl-N'-(5-oxaspiro[3.5]nonan-8-yl)ethane-1,2-diamine

N'-butyl-N'-(5-oxaspiro[3.5]nonan-8-yl)ethane-1,2-diamine (PubChem CID 79920705) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N'-butyl-N'-(5-oxaspiro[3.5]nonan-8-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-butyl-N'-(5-oxaspiro[3.5]nonan-8-yl)ethane-1,2-diamine
PubChem CID79920705
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN'-butyl-N'-(5-oxaspiro[3.5]nonan-8-yl)ethane-1,2-diamine
SMILESCCCCN(CCN)C1CCOC2(CCC2)C1
InChIInChI=1S/C14H28N2O/c1-2-3-9-16(10-8-15)13-5-11-17-14(12-13)6-4-7-14/h13H,2-12,15H2,1H3
InChIKeyDMBZWZHTQUDNBI-UHFFFAOYSA-N
XLogP2.15
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(6-oxaspiro[4.5]decan-9-yl)-N'-propylpropane-1,3-diamine
CID 79904792
N'-ethyl-N'-(6-oxaspiro[4.5]decan-9-yl)ethane-1,2-diamine
CID 79898283
N'-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-N'-propylpropane-1,3-diamine
CID 79904584
2-[5-oxaspiro[3.5]nonan-8-yl(propyl)amino]ethanol
CID 79919770
2-[butyl(1,9-dioxaspiro[5.5]undecan-4-yl)amino]ethanol
CID 79919295
2,2-dimethyl-N'-(5-oxaspiro[3.5]nonan-8-yl)-N'-propylpropane-1,3-diamine
CID 79898830
2-[6-oxaspiro[4.5]decan-9-yl(propyl)amino]ethanol
CID 79919654
2-[5-oxaspiro[3.5]nonan-8-yl(propyl)amino]acetic acid
CID 79894587
N'-butyl-N'-cyclopropylethane-1,2-diamine
CID 61349574
2-[6-oxaspiro[4.5]decan-9-yl(propyl)amino]acetonitrile
CID 79903017
2-[2-hydroxyethyl(1-oxaspiro[5.5]undecan-4-yl)amino]ethanol
CID 79920437
2-N-methyl-2-N-(6-oxaspiro[4.5]decan-9-yl)propane-1,2-diamine
CID 104556896

Frequently Asked Questions

What is the IUPAC name of N'-butyl-N'-(5-oxaspiro[3.5]nonan-8-yl)ethane-1,2-diamine?
The IUPAC name of N'-butyl-N'-(5-oxaspiro[3.5]nonan-8-yl)ethane-1,2-diamine (CID 79920705) is N'-butyl-N'-(5-oxaspiro[3.5]nonan-8-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-butyl-N'-(5-oxaspiro[3.5]nonan-8-yl)ethane-1,2-diamine?
The canonical SMILES for N'-butyl-N'-(5-oxaspiro[3.5]nonan-8-yl)ethane-1,2-diamine is CCCCN(CCN)C1CCOC2(CCC2)C1.
What is the InChIKey of N'-butyl-N'-(5-oxaspiro[3.5]nonan-8-yl)ethane-1,2-diamine?
The InChIKey is DMBZWZHTQUDNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-2-3-9-16(10-8-15)13-5-11-17-14(12-13)6-4-7-14/h13H,2-12,15H2,1H3.
What are the key properties of N'-butyl-N'-(5-oxaspiro[3.5]nonan-8-yl)ethane-1,2-diamine?
N'-butyl-N'-(5-oxaspiro[3.5]nonan-8-yl)ethane-1,2-diamine has a molecular weight of 240.39 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N'-(5-oxaspiro[3.5]nonan-8-yl)ethane-1,2-diamine is sourced from PubChem (CID 79920705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).