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

C13H26N2O2 — CID 61431092

IUPACN-methyl-N-(oxan-2-ylmethyl)-1-(oxolan-3-yl)ethane-1,2-diamine
SMILESCN(CC1CCCCO1)C(CN)C1CCOC1
InChIInChI=1S/C13H26N2O2/c1-15(9-12-4-2-3-6-17-12)13(8-14)11-5-7-16-10-11/h11-13H,2-10,14H2,1H3
InChIKeyALSQJHGWJDQXEY-UHFFFAOYSA-N
MW242.36 g/mol
LogP0.85
Rot. Bonds5

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

N-methyl-N-(oxan-2-ylmethyl)-1-(oxolan-3-yl)ethane-1,2-diamine (PubChem CID 61431092) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-methyl-N-(oxan-2-ylmethyl)-1-(oxolan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N-(oxan-2-ylmethyl)-1-(oxolan-3-yl)ethane-1,2-diamine
PubChem CID61431092
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-methyl-N-(oxan-2-ylmethyl)-1-(oxolan-3-yl)ethane-1,2-diamine
SMILESCN(CC1CCCCO1)C(CN)C1CCOC1
InChIInChI=1S/C13H26N2O2/c1-15(9-12-4-2-3-6-17-12)13(8-14)11-5-7-16-10-11/h11-13H,2-10,14H2,1H3
InChIKeyALSQJHGWJDQXEY-UHFFFAOYSA-N
XLogP0.85
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-N-methyl-N-(oxan-2-ylmethyl)ethane-1,2-diamine
CID 55034714
N-(cyclopropylmethyl)-N-methyl-1-(oxolan-3-yl)ethane-1,2-diamine
CID 60984338
1-cyclopentyl-N-methyl-N-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 55227963
N-methyl-N-(2-methylpropyl)-1-(oxan-3-yl)ethane-1,2-diamine
CID 63741818
1-chloro-N-methyl-N-(oxan-2-ylmethyl)propan-2-amine
CID 104555064
N,N-bis(2-methylpropyl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 61377686
1-(oxolan-3-yl)-N,N-dipropylethane-1,2-diamine
CID 16792709
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(oxan-3-yl)ethane-1,2-diamine
CID 79314280
2-N,4-dimethyl-2-N-(oxolan-2-ylmethyl)pentane-1,2-diamine
CID 61431425
N-methyl-N-(2-methylbutan-2-yl)-1-(oxolan-3-yl)ethane-1,2-diamine
CID 63982239
N-(2-methoxyethyl)-N-methyl-1-(oxan-3-yl)ethane-1,2-diamine
CID 63742177
N-methyl-N-(2-methylsulfanylethyl)-1-(oxan-3-yl)ethane-1,2-diamine
CID 112658148

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-2-ylmethyl)-1-(oxolan-3-yl)ethane-1,2-diamine?
The IUPAC name of N-methyl-N-(oxan-2-ylmethyl)-1-(oxolan-3-yl)ethane-1,2-diamine (CID 61431092) is N-methyl-N-(oxan-2-ylmethyl)-1-(oxolan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N-(oxan-2-ylmethyl)-1-(oxolan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-N-(oxan-2-ylmethyl)-1-(oxolan-3-yl)ethane-1,2-diamine is CN(CC1CCCCO1)C(CN)C1CCOC1.
What is the InChIKey of N-methyl-N-(oxan-2-ylmethyl)-1-(oxolan-3-yl)ethane-1,2-diamine?
The InChIKey is ALSQJHGWJDQXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-15(9-12-4-2-3-6-17-12)13(8-14)11-5-7-16-10-11/h11-13H,2-10,14H2,1H3.
What are the key properties of N-methyl-N-(oxan-2-ylmethyl)-1-(oxolan-3-yl)ethane-1,2-diamine?
N-methyl-N-(oxan-2-ylmethyl)-1-(oxolan-3-yl)ethane-1,2-diamine has a molecular weight of 242.36 g/mol, XLogP of 0.85, 5 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)-1-(oxolan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 61431092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).