5-methoxy-4-N-methyl-4-N-pentan-2-ylpentane-1,4-diamine

C12H28N2O — CID 103391711

IUPAC5-methoxy-4-N-methyl-4-N-pentan-2-ylpentane-1,4-diamine
SMILESCCCC(C)N(C)C(CCCN)COC
InChIInChI=1S/C12H28N2O/c1-5-7-11(2)14(3)12(10-15-4)8-6-9-13/h11-12H,5-10,13H2,1-4H3
InChIKeyTYAWPFWCCGDSOO-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.86
Rot. Bonds9

About 5-methoxy-4-N-methyl-4-N-pentan-2-ylpentane-1,4-diamine

5-methoxy-4-N-methyl-4-N-pentan-2-ylpentane-1,4-diamine (PubChem CID 103391711) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 5-methoxy-4-N-methyl-4-N-pentan-2-ylpentane-1,4-diamine.

Molecular Properties

Compound Name5-methoxy-4-N-methyl-4-N-pentan-2-ylpentane-1,4-diamine
PubChem CID103391711
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name5-methoxy-4-N-methyl-4-N-pentan-2-ylpentane-1,4-diamine
SMILESCCCC(C)N(C)C(CCCN)COC
InChIInChI=1S/C12H28N2O/c1-5-7-11(2)14(3)12(10-15-4)8-6-9-13/h11-12H,5-10,13H2,1-4H3
InChIKeyTYAWPFWCCGDSOO-UHFFFAOYSA-N
XLogP1.86
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N,4-N-diethyl-5-methoxypentane-1,4-diamine
CID 103391611
3-methoxy-1-N,2-N-dimethyl-2-N-pentan-2-ylpropane-1,2-diamine
CID 103225752
5-methoxy-4-N-(2-methoxyethyl)-4-N-methylpentane-1,4-diamine
CID 103391769
4-[(5-amino-1-methoxypentan-2-yl)-methylamino]butan-2-ol
CID 103392024
2-[(5-amino-1-methoxypentan-2-yl)-methylamino]acetamide
CID 103391695
5-methoxy-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pentane-1,4-diamine
CID 103391840
4-methylheptan-1-amine
CID 18618988
5-methoxy-4-N-pentan-2-ylpentane-1,4-diamine
CID 103387026
5-methoxy-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pentane-1,4-diamine
CID 103391921
N'-methyl-N'-pentan-2-ylpropane-1,3-diamine
CID 43571779
5-methoxy-4-N-[(2-methoxyphenyl)methyl]-4-N-methylpentane-1,4-diamine
CID 103391761
4-N-benzyl-5-methoxy-4-N-propylpentane-1,4-diamine
CID 103391726

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-N-methyl-4-N-pentan-2-ylpentane-1,4-diamine?
The IUPAC name of 5-methoxy-4-N-methyl-4-N-pentan-2-ylpentane-1,4-diamine (CID 103391711) is 5-methoxy-4-N-methyl-4-N-pentan-2-ylpentane-1,4-diamine.
What is the SMILES notation for 5-methoxy-4-N-methyl-4-N-pentan-2-ylpentane-1,4-diamine?
The canonical SMILES for 5-methoxy-4-N-methyl-4-N-pentan-2-ylpentane-1,4-diamine is CCCC(C)N(C)C(CCCN)COC.
What is the InChIKey of 5-methoxy-4-N-methyl-4-N-pentan-2-ylpentane-1,4-diamine?
The InChIKey is TYAWPFWCCGDSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-5-7-11(2)14(3)12(10-15-4)8-6-9-13/h11-12H,5-10,13H2,1-4H3.
What are the key properties of 5-methoxy-4-N-methyl-4-N-pentan-2-ylpentane-1,4-diamine?
5-methoxy-4-N-methyl-4-N-pentan-2-ylpentane-1,4-diamine has a molecular weight of 216.37 g/mol, XLogP of 1.86, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-N-methyl-4-N-pentan-2-ylpentane-1,4-diamine is sourced from PubChem (CID 103391711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).