N'-methyl-N'-(oxan-2-ylmethyl)-N-(oxolan-3-ylmethyl)ethane-1,2-diamine

C14H28N2O2 — CID 62555829

IUPACN'-methyl-N'-(oxan-2-ylmethyl)-N-(oxolan-3-ylmethyl)ethane-1,2-diamine
SMILESCN(CCNCC1CCOC1)CC1CCCCO1
InChIInChI=1S/C14H28N2O2/c1-16(11-14-4-2-3-8-18-14)7-6-15-10-13-5-9-17-12-13/h13-15H,2-12H2,1H3
InChIKeyWWZJXGSFZZMTPU-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.11
Rot. Bonds7

About N'-methyl-N'-(oxan-2-ylmethyl)-N-(oxolan-3-ylmethyl)ethane-1,2-diamine

N'-methyl-N'-(oxan-2-ylmethyl)-N-(oxolan-3-ylmethyl)ethane-1,2-diamine (PubChem CID 62555829) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N'-methyl-N'-(oxan-2-ylmethyl)-N-(oxolan-3-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(oxan-2-ylmethyl)-N-(oxolan-3-ylmethyl)ethane-1,2-diamine
PubChem CID62555829
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC NameN'-methyl-N'-(oxan-2-ylmethyl)-N-(oxolan-3-ylmethyl)ethane-1,2-diamine
SMILESCN(CCNCC1CCOC1)CC1CCCCO1
InChIInChI=1S/C14H28N2O2/c1-16(11-14-4-2-3-8-18-14)7-6-15-10-13-5-9-17-12-13/h13-15H,2-12H2,1H3
InChIKeyWWZJXGSFZZMTPU-UHFFFAOYSA-N
XLogP1.11
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(oxan-2-ylmethyl)-1-(oxolan-3-yl)methanamine
CID 61038711
N'-(cyclobutylmethyl)-N'-methyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 62856420
N'-methyl-N'-(oxan-2-ylmethyl)-N-propan-2-ylethane-1,2-diamine
CID 61436349
N'-methyl-N'-[[(2R)-oxolan-2-yl]methyl]-N-propylethane-1,2-diamine
CID 104856033
N'-(2-methoxyethyl)-N'-methyl-N-(oxolan-3-ylmethyl)ethane-1,2-diamine
CID 62557389
N,N'-dimethyl-N'-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine
CID 104856030
N-methyl-N-(oxan-2-ylmethyl)propan-1-amine
CID 169307436
N'-methyl-N'-(oxolan-2-ylmethyl)-N-pentylethane-1,2-diamine
CID 62555308
N,N'-dimethyl-N'-(oxan-2-ylmethyl)butane-1,4-diamine
CID 61436273
N-methyl-N-(oxepan-2-ylmethyl)propan-1-amine
CID 169307437
N'-(cyclohexylmethyl)-N-(cyclopropylmethyl)-N'-methylethane-1,2-diamine
CID 61447834
N-(1-cyclopropylethyl)-N'-methyl-N'-(oxan-2-ylmethyl)ethane-1,2-diamine
CID 62554352

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(oxan-2-ylmethyl)-N-(oxolan-3-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-(oxan-2-ylmethyl)-N-(oxolan-3-ylmethyl)ethane-1,2-diamine (CID 62555829) is N'-methyl-N'-(oxan-2-ylmethyl)-N-(oxolan-3-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-(oxan-2-ylmethyl)-N-(oxolan-3-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-(oxan-2-ylmethyl)-N-(oxolan-3-ylmethyl)ethane-1,2-diamine is CN(CCNCC1CCOC1)CC1CCCCO1.
What is the InChIKey of N'-methyl-N'-(oxan-2-ylmethyl)-N-(oxolan-3-ylmethyl)ethane-1,2-diamine?
The InChIKey is WWZJXGSFZZMTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-16(11-14-4-2-3-8-18-14)7-6-15-10-13-5-9-17-12-13/h13-15H,2-12H2,1H3.
What are the key properties of N'-methyl-N'-(oxan-2-ylmethyl)-N-(oxolan-3-ylmethyl)ethane-1,2-diamine?
N'-methyl-N'-(oxan-2-ylmethyl)-N-(oxolan-3-ylmethyl)ethane-1,2-diamine has a molecular weight of 256.39 g/mol, XLogP of 1.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(oxan-2-ylmethyl)-N-(oxolan-3-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 62555829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).