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

C12H28N2O — CID 103389536

IUPAC5-methoxy-4-N-(3-methylpentan-2-yl)pentane-1,4-diamine
SMILESCCC(C)C(C)NC(CCCN)COC
InChIInChI=1S/C12H28N2O/c1-5-10(2)11(3)14-12(9-15-4)7-6-8-13/h10-12,14H,5-9,13H2,1-4H3
InChIKeySRURYULOBUJJCC-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.76
Rot. Bonds9

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

5-methoxy-4-N-(3-methylpentan-2-yl)pentane-1,4-diamine (PubChem CID 103389536) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 5-methoxy-4-N-(3-methylpentan-2-yl)pentane-1,4-diamine.

Molecular Properties

Compound Name5-methoxy-4-N-(3-methylpentan-2-yl)pentane-1,4-diamine
PubChem CID103389536
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name5-methoxy-4-N-(3-methylpentan-2-yl)pentane-1,4-diamine
SMILESCCC(C)C(C)NC(CCCN)COC
InChIInChI=1S/C12H28N2O/c1-5-10(2)11(3)14-12(9-15-4)7-6-8-13/h10-12,14H,5-9,13H2,1-4H3
InChIKeySRURYULOBUJJCC-UHFFFAOYSA-N
XLogP1.76
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-4-N-pentan-2-ylpentane-1,4-diamine
CID 103387026
3-[(5-amino-1-methoxypentan-2-yl)amino]butan-1-ol
CID 103390783
2-[(5-amino-1-methoxypentan-2-yl)amino]-N,N-diethylpropanamide
CID 103388839
4-N-[1-(1-adamantyl)ethyl]-5-methoxypentane-1,4-diamine
CID 103387014
2-[(5-amino-1-methoxypentan-2-yl)amino]-3-methylbutanoic acid
CID 103389621
4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-methoxypentane-1,4-diamine
CID 103389561
5-methoxy-4-N-[1-(4-methoxyphenyl)ethyl]pentane-1,4-diamine
CID 103390275
5-methoxy-4-N-(2-methyl-1-phenylpropyl)pentane-1,4-diamine
CID 103388167
3-[(5-amino-1-methoxypentan-2-yl)amino]-4,4-dimethylpentan-1-ol
CID 106349081
5-methoxy-4-N-[(1S)-1-(2-methoxyphenyl)ethyl]pentane-1,4-diamine
CID 103390524
5-methoxy-4-N-(1-morpholin-4-ylpropan-2-yl)pentane-1,4-diamine
CID 103387992
2-(1-methoxyhexan-2-ylamino)-3-methylpentan-1-ol
CID 115891633

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-N-(3-methylpentan-2-yl)pentane-1,4-diamine?
The IUPAC name of 5-methoxy-4-N-(3-methylpentan-2-yl)pentane-1,4-diamine (CID 103389536) is 5-methoxy-4-N-(3-methylpentan-2-yl)pentane-1,4-diamine.
What is the SMILES notation for 5-methoxy-4-N-(3-methylpentan-2-yl)pentane-1,4-diamine?
The canonical SMILES for 5-methoxy-4-N-(3-methylpentan-2-yl)pentane-1,4-diamine is CCC(C)C(C)NC(CCCN)COC.
What is the InChIKey of 5-methoxy-4-N-(3-methylpentan-2-yl)pentane-1,4-diamine?
The InChIKey is SRURYULOBUJJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-5-10(2)11(3)14-12(9-15-4)7-6-8-13/h10-12,14H,5-9,13H2,1-4H3.
What are the key properties of 5-methoxy-4-N-(3-methylpentan-2-yl)pentane-1,4-diamine?
5-methoxy-4-N-(3-methylpentan-2-yl)pentane-1,4-diamine has a molecular weight of 216.37 g/mol, XLogP of 1.76, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-N-(3-methylpentan-2-yl)pentane-1,4-diamine is sourced from PubChem (CID 103389536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).