N'-methyl-N'-(oxan-4-yl)butane-1,4-diamine

C10H22N2O — CID 43610795

IUPACN'-methyl-N'-(oxan-4-yl)butane-1,4-diamine
SMILESCN(CCCCN)C1CCOCC1
InChIInChI=1S/C10H22N2O/c1-12(7-3-2-6-11)10-4-8-13-9-5-10/h10H,2-9,11H2,1H3
InChIKeyVEOYPKKLNLBMMH-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.84
Rot. Bonds5

About N'-methyl-N'-(oxan-4-yl)butane-1,4-diamine

N'-methyl-N'-(oxan-4-yl)butane-1,4-diamine (PubChem CID 43610795) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is N'-methyl-N'-(oxan-4-yl)butane-1,4-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(oxan-4-yl)butane-1,4-diamine
PubChem CID43610795
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC NameN'-methyl-N'-(oxan-4-yl)butane-1,4-diamine
SMILESCN(CCCCN)C1CCOCC1
InChIInChI=1S/C10H22N2O/c1-12(7-3-2-6-11)10-4-8-13-9-5-10/h10H,2-9,11H2,1H3
InChIKeyVEOYPKKLNLBMMH-UHFFFAOYSA-N
XLogP0.84
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-cyclopropyl-N'-methylhexane-1,6-diamine
CID 43265095
7-amino-N-methyl-N-(oxan-4-yl)heptanamide
CID 43611104
6-amino-N-methyl-N-(oxan-4-yl)hexanamide
CID 43611096
N'-methyl-N'-(oxan-4-yl)-N-propylpentane-1,5-diamine
CID 62431846
2,2-dimethyl-6-[methyl(oxan-4-yl)amino]hexanenitrile
CID 106709849
N'-hydroxy-2,2-dimethyl-6-[methyl(oxan-4-yl)amino]hexanimidamide
CID 106710751
2,2-dimethyl-5-[methyl(oxan-4-yl)amino]pentanethioamide
CID 65260088
N'-methyl-N-(2-methylpropyl)-N'-(oxan-4-yl)pentane-1,5-diamine
CID 62432030
6-[methyl(oxan-4-yl)amino]hexan-3-ol
CID 106802302
N'-methyl-N'-(thiolan-3-yl)butane-1,4-diamine
CID 43296813
N-butyl-N-methyloxolan-3-amine
CID 154189060
N-(9-bromononyl)-N-methyloxolan-3-amine
CID 105343849

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(oxan-4-yl)butane-1,4-diamine?
The IUPAC name of N'-methyl-N'-(oxan-4-yl)butane-1,4-diamine (CID 43610795) is N'-methyl-N'-(oxan-4-yl)butane-1,4-diamine.
What is the SMILES notation for N'-methyl-N'-(oxan-4-yl)butane-1,4-diamine?
The canonical SMILES for N'-methyl-N'-(oxan-4-yl)butane-1,4-diamine is CN(CCCCN)C1CCOCC1.
What is the InChIKey of N'-methyl-N'-(oxan-4-yl)butane-1,4-diamine?
The InChIKey is VEOYPKKLNLBMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-12(7-3-2-6-11)10-4-8-13-9-5-10/h10H,2-9,11H2,1H3.
What are the key properties of N'-methyl-N'-(oxan-4-yl)butane-1,4-diamine?
N'-methyl-N'-(oxan-4-yl)butane-1,4-diamine has a molecular weight of 186.30 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(oxan-4-yl)butane-1,4-diamine is sourced from PubChem (CID 43610795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).