5-methoxy-4-N-methyl-4-N-(2-methyloxolan-3-yl)pentane-1,4-diamine

C12H26N2O2 — CID 103391992

IUPAC5-methoxy-4-N-methyl-4-N-(2-methyloxolan-3-yl)pentane-1,4-diamine
SMILESCOCC(CCCN)N(C)C1CCOC1C
InChIInChI=1S/C12H26N2O2/c1-10-12(6-8-16-10)14(2)11(9-15-3)5-4-7-13/h10-12H,4-9,13H2,1-3H3
InChIKeyQILBYLNTVPBHPU-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.85
Rot. Bonds7

About 5-methoxy-4-N-methyl-4-N-(2-methyloxolan-3-yl)pentane-1,4-diamine

5-methoxy-4-N-methyl-4-N-(2-methyloxolan-3-yl)pentane-1,4-diamine (PubChem CID 103391992) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 5-methoxy-4-N-methyl-4-N-(2-methyloxolan-3-yl)pentane-1,4-diamine.

Molecular Properties

Compound Name5-methoxy-4-N-methyl-4-N-(2-methyloxolan-3-yl)pentane-1,4-diamine
PubChem CID103391992
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name5-methoxy-4-N-methyl-4-N-(2-methyloxolan-3-yl)pentane-1,4-diamine
SMILESCOCC(CCCN)N(C)C1CCOC1C
InChIInChI=1S/C12H26N2O2/c1-10-12(6-8-16-10)14(2)11(9-15-3)5-4-7-13/h10-12H,4-9,13H2,1-3H3
InChIKeyQILBYLNTVPBHPU-UHFFFAOYSA-N
XLogP0.85
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine
CID 82718003
5-amino-N,2-dimethyl-N-(2-methyloxolan-3-yl)pentanamide
CID 104685498
5-methoxy-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pentane-1,4-diamine
CID 103391921
5-methoxy-4-N-(2-methoxyethyl)-4-N-methylpentane-1,4-diamine
CID 103391769
ethyl 2-[methyl-(2-methyloxolan-3-yl)amino]pentanoate
CID 83049005
N-methyl-1-(4-methylcyclohexyl)-N-(2-methyloxolan-3-yl)ethane-1,2-diamine
CID 82734580
4-N,4-N-diethyl-5-methoxypentane-1,4-diamine
CID 103391611
N-[1-(aminomethyl)-3-methylcyclobutyl]-N,2-dimethyloxolan-3-amine
CID 103563096
2-N-methyl-2-N-(2-methyloxolan-3-yl)-1-N-propan-2-ylbutane-1,2-diamine
CID 82754425
1-N,3-N-dimethyl-3-N-(2-methyloxolan-3-yl)butane-1,3-diamine
CID 82753901
2-N-methyl-2-N-(2-methyloxolan-3-yl)pentane-2,3-diamine
CID 82734283
7-amino-N-methyl-N-(2-methyloxolan-3-yl)heptanamide
CID 82738211

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-N-methyl-4-N-(2-methyloxolan-3-yl)pentane-1,4-diamine?
The IUPAC name of 5-methoxy-4-N-methyl-4-N-(2-methyloxolan-3-yl)pentane-1,4-diamine (CID 103391992) is 5-methoxy-4-N-methyl-4-N-(2-methyloxolan-3-yl)pentane-1,4-diamine.
What is the SMILES notation for 5-methoxy-4-N-methyl-4-N-(2-methyloxolan-3-yl)pentane-1,4-diamine?
The canonical SMILES for 5-methoxy-4-N-methyl-4-N-(2-methyloxolan-3-yl)pentane-1,4-diamine is COCC(CCCN)N(C)C1CCOC1C.
What is the InChIKey of 5-methoxy-4-N-methyl-4-N-(2-methyloxolan-3-yl)pentane-1,4-diamine?
The InChIKey is QILBYLNTVPBHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-10-12(6-8-16-10)14(2)11(9-15-3)5-4-7-13/h10-12H,4-9,13H2,1-3H3.
What are the key properties of 5-methoxy-4-N-methyl-4-N-(2-methyloxolan-3-yl)pentane-1,4-diamine?
5-methoxy-4-N-methyl-4-N-(2-methyloxolan-3-yl)pentane-1,4-diamine has a molecular weight of 230.35 g/mol, XLogP of 0.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-N-methyl-4-N-(2-methyloxolan-3-yl)pentane-1,4-diamine is sourced from PubChem (CID 103391992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).