5-methoxy-4-N-(2-methyl-1-phenylpropyl)pentane-1,4-diamine

C16H28N2O — CID 103388167

IUPAC5-methoxy-4-N-(2-methyl-1-phenylpropyl)pentane-1,4-diamine
SMILESCOCC(CCCN)NC(c1ccccc1)C(C)C
InChIInChI=1S/C16H28N2O/c1-13(2)16(14-8-5-4-6-9-14)18-15(12-19-3)10-7-11-17/h4-6,8-9,13,15-16,18H,7,10-12,17H2,1-3H3
InChIKeyVFJKZYCQGICPNR-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.73
Rot. Bonds9

About 5-methoxy-4-N-(2-methyl-1-phenylpropyl)pentane-1,4-diamine

5-methoxy-4-N-(2-methyl-1-phenylpropyl)pentane-1,4-diamine (PubChem CID 103388167) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 5-methoxy-4-N-(2-methyl-1-phenylpropyl)pentane-1,4-diamine.

Molecular Properties

Compound Name5-methoxy-4-N-(2-methyl-1-phenylpropyl)pentane-1,4-diamine
PubChem CID103388167
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name5-methoxy-4-N-(2-methyl-1-phenylpropyl)pentane-1,4-diamine
SMILESCOCC(CCCN)NC(c1ccccc1)C(C)C
InChIInChI=1S/C16H28N2O/c1-13(2)16(14-8-5-4-6-9-14)18-15(12-19-3)10-7-11-17/h4-6,8-9,13,15-16,18H,7,10-12,17H2,1-3H3
InChIKeyVFJKZYCQGICPNR-UHFFFAOYSA-N
XLogP2.73
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-4-N-(3-phenylbutyl)pentane-1,4-diamine
CID 103389871
5-methoxy-4-N-[phenyl(thiophen-2-yl)methyl]pentane-1,4-diamine
CID 103388543
5-methoxy-4-N-[(1S)-1-(2-methoxyphenyl)ethyl]pentane-1,4-diamine
CID 103390524
5-methoxy-4-N-[1-(4-methoxyphenyl)ethyl]pentane-1,4-diamine
CID 103390275
2-[(5-amino-1-methoxypentan-2-yl)amino]-3-methylbutanoic acid
CID 103389621
2-methyl-N-(2-methyl-1-phenylpropyl)-1-phenylpropan-1-amine
CID 3845327
5-methoxy-4-N-(3-methylpentan-2-yl)pentane-1,4-diamine
CID 103389536
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
4-N-[1-(1,3-benzodioxol-5-yl)ethyl]-5-methoxypentane-1,4-diamine
CID 103388237
4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-5-methoxypentane-1,4-diamine
CID 103389561
4-N-[1-(2,4-dimethylphenyl)ethyl]-5-methoxypentane-1,4-diamine
CID 103389173

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-N-(2-methyl-1-phenylpropyl)pentane-1,4-diamine?
The IUPAC name of 5-methoxy-4-N-(2-methyl-1-phenylpropyl)pentane-1,4-diamine (CID 103388167) is 5-methoxy-4-N-(2-methyl-1-phenylpropyl)pentane-1,4-diamine.
What is the SMILES notation for 5-methoxy-4-N-(2-methyl-1-phenylpropyl)pentane-1,4-diamine?
The canonical SMILES for 5-methoxy-4-N-(2-methyl-1-phenylpropyl)pentane-1,4-diamine is COCC(CCCN)NC(c1ccccc1)C(C)C.
What is the InChIKey of 5-methoxy-4-N-(2-methyl-1-phenylpropyl)pentane-1,4-diamine?
The InChIKey is VFJKZYCQGICPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-13(2)16(14-8-5-4-6-9-14)18-15(12-19-3)10-7-11-17/h4-6,8-9,13,15-16,18H,7,10-12,17H2,1-3H3.
What are the key properties of 5-methoxy-4-N-(2-methyl-1-phenylpropyl)pentane-1,4-diamine?
5-methoxy-4-N-(2-methyl-1-phenylpropyl)pentane-1,4-diamine has a molecular weight of 264.41 g/mol, XLogP of 2.73, 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-(2-methyl-1-phenylpropyl)pentane-1,4-diamine is sourced from PubChem (CID 103388167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).