2-methyl-N'-[2-(oxan-4-yl)ethyl]butane-1,4-diamine

C12H26N2O — CID 115203437

IUPAC2-methyl-N'-[2-(oxan-4-yl)ethyl]butane-1,4-diamine
SMILESCC(CN)CCNCCC1CCOCC1
InChIInChI=1S/C12H26N2O/c1-11(10-13)2-6-14-7-3-12-4-8-15-9-5-12/h11-12,14H,2-10,13H2,1H3
InChIKeyAWHLOYWWORGUBN-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.38
Rot. Bonds7

About 2-methyl-N'-[2-(oxan-4-yl)ethyl]butane-1,4-diamine

2-methyl-N'-[2-(oxan-4-yl)ethyl]butane-1,4-diamine (PubChem CID 115203437) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-methyl-N'-[2-(oxan-4-yl)ethyl]butane-1,4-diamine.

Molecular Properties

Compound Name2-methyl-N'-[2-(oxan-4-yl)ethyl]butane-1,4-diamine
PubChem CID115203437
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-methyl-N'-[2-(oxan-4-yl)ethyl]butane-1,4-diamine
SMILESCC(CN)CCNCCC1CCOCC1
InChIInChI=1S/C12H26N2O/c1-11(10-13)2-6-14-7-3-12-4-8-15-9-5-12/h11-12,14H,2-10,13H2,1H3
InChIKeyAWHLOYWWORGUBN-UHFFFAOYSA-N
XLogP1.38
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N'-(2-morpholin-4-ylethyl)butane-1,4-diamine
CID 114987350
N'-(cyclopentylmethyl)-2-methylbutane-1,4-diamine
CID 115203257
[2-(oxan-4-yl)ethylamino]methanethiol
CID 115228335
3-[2-(oxan-4-yl)ethylamino]propane-1-thiol
CID 115225191
3-methyl-N-(oxan-4-ylmethyl)butan-1-amine
CID 62385670
3-[[2-(oxan-4-yl)ethylamino]methyl]cyclobutan-1-amine
CID 115214330
N',2-dimethyl-N'-(oxan-4-ylmethyl)pentane-1,5-diamine
CID 82017136
2-(oxan-4-yl)-N-(2-pyrrolidin-2-ylethyl)ethanamine
CID 115210453
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(oxan-4-yl)ethanamine
CID 115244358
oxan-4-ylmethyl 5-amino-4-methylpentanoate
CID 82687727
4-(4-chloro-3-methylbutyl)oxane
CID 64664613
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(oxan-4-yl)ethanamine
CID 115245941

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N'-[2-(oxan-4-yl)ethyl]butane-1,4-diamine?
The IUPAC name of 2-methyl-N'-[2-(oxan-4-yl)ethyl]butane-1,4-diamine (CID 115203437) is 2-methyl-N'-[2-(oxan-4-yl)ethyl]butane-1,4-diamine.
What is the SMILES notation for 2-methyl-N'-[2-(oxan-4-yl)ethyl]butane-1,4-diamine?
The canonical SMILES for 2-methyl-N'-[2-(oxan-4-yl)ethyl]butane-1,4-diamine is CC(CN)CCNCCC1CCOCC1.
What is the InChIKey of 2-methyl-N'-[2-(oxan-4-yl)ethyl]butane-1,4-diamine?
The InChIKey is AWHLOYWWORGUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-11(10-13)2-6-14-7-3-12-4-8-15-9-5-12/h11-12,14H,2-10,13H2,1H3.
What are the key properties of 2-methyl-N'-[2-(oxan-4-yl)ethyl]butane-1,4-diamine?
2-methyl-N'-[2-(oxan-4-yl)ethyl]butane-1,4-diamine has a molecular weight of 214.35 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N'-[2-(oxan-4-yl)ethyl]butane-1,4-diamine is sourced from PubChem (CID 115203437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).