5-methoxy-4-N-(oxan-4-yl)pentane-1,4-diamine

C11H24N2O2 — CID 103387909

IUPAC5-methoxy-4-N-(oxan-4-yl)pentane-1,4-diamine
SMILESCOCC(CCCN)NC1CCOCC1
InChIInChI=1S/C11H24N2O2/c1-14-9-11(3-2-6-12)13-10-4-7-15-8-5-10/h10-11,13H,2-9,12H2,1H3
InChIKeyJDNWYVFGUJEZSW-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.51
Rot. Bonds7

About 5-methoxy-4-N-(oxan-4-yl)pentane-1,4-diamine

5-methoxy-4-N-(oxan-4-yl)pentane-1,4-diamine (PubChem CID 103387909) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 5-methoxy-4-N-(oxan-4-yl)pentane-1,4-diamine.

Molecular Properties

Compound Name5-methoxy-4-N-(oxan-4-yl)pentane-1,4-diamine
PubChem CID103387909
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name5-methoxy-4-N-(oxan-4-yl)pentane-1,4-diamine
SMILESCOCC(CCCN)NC1CCOCC1
InChIInChI=1S/C11H24N2O2/c1-14-9-11(3-2-6-12)13-10-4-7-15-8-5-10/h10-11,13H,2-9,12H2,1H3
InChIKeyJDNWYVFGUJEZSW-UHFFFAOYSA-N
XLogP0.51
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-4-N-(4-methylsulfanylcyclohexyl)pentane-1,4-diamine
CID 114122602
N-(1-methoxyhexan-2-yl)cyclopentanamine
CID 115704960
4-N-(2,4-dimethylcyclohexyl)-5-methoxypentane-1,4-diamine
CID 103390009
5-methoxy-4-N-(1-morpholin-4-ylpropan-2-yl)pentane-1,4-diamine
CID 103387992
4-N-(2,2-dimethylcyclohexyl)-5-methoxypentane-1,4-diamine
CID 103390345
4-N-(cyclohexylmethyl)-5-methoxypentane-1,4-diamine
CID 103387807
N-(1-methoxy-4-methylpentan-3-yl)oxan-4-amine
CID 115710262
5-methoxy-4-N-(3-methylpentan-2-yl)pentane-1,4-diamine
CID 103389536
5-methoxy-4-N-[(2-methylcyclopentyl)methyl]pentane-1,4-diamine
CID 107417216
N-(1-methoxyhexan-2-yl)cyclopent-3-en-1-amine
CID 115728475
4-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-5-methoxypentane-1,4-diamine
CID 103389461
2-[[(5-amino-1-methoxypentan-2-yl)amino]methyl]cyclopentan-1-ol
CID 103390240

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-N-(oxan-4-yl)pentane-1,4-diamine?
The IUPAC name of 5-methoxy-4-N-(oxan-4-yl)pentane-1,4-diamine (CID 103387909) is 5-methoxy-4-N-(oxan-4-yl)pentane-1,4-diamine.
What is the SMILES notation for 5-methoxy-4-N-(oxan-4-yl)pentane-1,4-diamine?
The canonical SMILES for 5-methoxy-4-N-(oxan-4-yl)pentane-1,4-diamine is COCC(CCCN)NC1CCOCC1.
What is the InChIKey of 5-methoxy-4-N-(oxan-4-yl)pentane-1,4-diamine?
The InChIKey is JDNWYVFGUJEZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-14-9-11(3-2-6-12)13-10-4-7-15-8-5-10/h10-11,13H,2-9,12H2,1H3.
What are the key properties of 5-methoxy-4-N-(oxan-4-yl)pentane-1,4-diamine?
5-methoxy-4-N-(oxan-4-yl)pentane-1,4-diamine has a molecular weight of 216.32 g/mol, XLogP of 0.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-N-(oxan-4-yl)pentane-1,4-diamine is sourced from PubChem (CID 103387909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).