N-butyl-N-ethyl-1-(oxan-4-yl)ethane-1,2-diamine

C13H28N2O — CID 62386855

IUPACN-butyl-N-ethyl-1-(oxan-4-yl)ethane-1,2-diamine
SMILESCCCCN(CC)C(CN)C1CCOCC1
InChIInChI=1S/C13H28N2O/c1-3-5-8-15(4-2)13(11-14)12-6-9-16-10-7-12/h12-13H,3-11,14H2,1-2H3
InChIKeyOQWKWNCHNZBDQK-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.86
Rot. Bonds7

About N-butyl-N-ethyl-1-(oxan-4-yl)ethane-1,2-diamine

N-butyl-N-ethyl-1-(oxan-4-yl)ethane-1,2-diamine (PubChem CID 62386855) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-butyl-N-ethyl-1-(oxan-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-butyl-N-ethyl-1-(oxan-4-yl)ethane-1,2-diamine
PubChem CID62386855
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-butyl-N-ethyl-1-(oxan-4-yl)ethane-1,2-diamine
SMILESCCCCN(CC)C(CN)C1CCOCC1
InChIInChI=1S/C13H28N2O/c1-3-5-8-15(4-2)13(11-14)12-6-9-16-10-7-12/h12-13H,3-11,14H2,1-2H3
InChIKeyOQWKWNCHNZBDQK-UHFFFAOYSA-N
XLogP1.86
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-N-butyl-1-(oxan-4-yl)ethane-1,2-diamine
CID 62385415
1-cyclopropyl-N-ethyl-N-propylethane-1,2-diamine
CID 43655040
N-cyclopropyl-1-(oxan-4-yl)-N-propylethane-1,2-diamine
CID 62386127
1-(oxolan-3-yl)-N,N-dipropylethane-1,2-diamine
CID 16792709
N-butyl-1-(oxan-4-yl)-N-phenylethane-1,2-diamine
CID 64585381
1-cyclopropyl-N,N-diethylethane-1,2-diamine
CID 43654980
N-cyclopropyl-N-methyl-1-(oxan-4-yl)ethane-1,2-diamine
CID 62384670
N-butyl-1-cyclopentyl-N-methylethane-1,2-diamine
CID 62070003
N-methyl-N-(2-methylpropyl)-1-(oxan-4-yl)ethane-1,2-diamine
CID 62386315
N-ethyl-N-(4-methylphenyl)-1-(oxan-4-yl)ethane-1,2-diamine
CID 62384515
N,N-bis(2-methylpropyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 61377686
N-ethyl-N-(2-methoxyethyl)-1-(thiolan-3-yl)ethane-1,2-diamine
CID 107132663

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-1-(oxan-4-yl)ethane-1,2-diamine?
The IUPAC name of N-butyl-N-ethyl-1-(oxan-4-yl)ethane-1,2-diamine (CID 62386855) is N-butyl-N-ethyl-1-(oxan-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-butyl-N-ethyl-1-(oxan-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-butyl-N-ethyl-1-(oxan-4-yl)ethane-1,2-diamine is CCCCN(CC)C(CN)C1CCOCC1.
What is the InChIKey of N-butyl-N-ethyl-1-(oxan-4-yl)ethane-1,2-diamine?
The InChIKey is OQWKWNCHNZBDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-3-5-8-15(4-2)13(11-14)12-6-9-16-10-7-12/h12-13H,3-11,14H2,1-2H3.
What are the key properties of N-butyl-N-ethyl-1-(oxan-4-yl)ethane-1,2-diamine?
N-butyl-N-ethyl-1-(oxan-4-yl)ethane-1,2-diamine has a molecular weight of 228.38 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-1-(oxan-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 62386855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).