5-methoxy-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pentane-1,4-diamine

C11H23F3N2O — CID 103391840

IUPAC5-methoxy-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pentane-1,4-diamine
SMILESCOCC(CCCN)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C11H23F3N2O/c1-9(2)16(8-11(12,13)14)10(7-17-3)5-4-6-15/h9-10H,4-8,15H2,1-3H3
InChIKeyRLKBQTIABTYGPT-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.01
Rot. Bonds8

About 5-methoxy-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pentane-1,4-diamine

5-methoxy-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pentane-1,4-diamine (PubChem CID 103391840) has the molecular formula C11H23F3N2O and a molecular weight of 256.31 g/mol. Its IUPAC name is 5-methoxy-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pentane-1,4-diamine.

Molecular Properties

Compound Name5-methoxy-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pentane-1,4-diamine
PubChem CID103391840
Molecular FormulaC11H23F3N2O
Molecular Weight256.31 g/mol
Exact Mass256.18
IUPAC Name5-methoxy-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pentane-1,4-diamine
SMILESCOCC(CCCN)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C11H23F3N2O/c1-9(2)16(8-11(12,13)14)10(7-17-3)5-4-6-15/h9-10H,4-8,15H2,1-3H3
InChIKeyRLKBQTIABTYGPT-UHFFFAOYSA-N
XLogP2.01
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-amino-1-methoxypentan-2-yl)-(2,2,2-trifluoroethyl)amino]ethanol
CID 107494968
4-N,4-N-diethyl-5-methoxypentane-1,4-diamine
CID 103391611
5-methoxy-4-N-methyl-4-N-pentan-2-ylpentane-1,4-diamine
CID 103391711
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
3-methoxy-2-N-(2-methylpropyl)-2-N-propan-2-ylpropane-1,2-diamine
CID 103226287
5-methoxy-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pentane-1,4-diamine
CID 103391921
5-methoxy-4-N-methyl-4-N-[(2-methylphenyl)methyl]pentane-1,4-diamine
CID 103391713
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
4-N-(cyclobutylmethyl)-4-N-ethyl-5-methoxypentane-1,4-diamine
CID 107402945

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pentane-1,4-diamine?
The IUPAC name of 5-methoxy-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pentane-1,4-diamine (CID 103391840) is 5-methoxy-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pentane-1,4-diamine.
What is the SMILES notation for 5-methoxy-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pentane-1,4-diamine?
The canonical SMILES for 5-methoxy-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pentane-1,4-diamine is COCC(CCCN)N(CC(F)(F)F)C(C)C.
What is the InChIKey of 5-methoxy-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pentane-1,4-diamine?
The InChIKey is RLKBQTIABTYGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F3N2O/c1-9(2)16(8-11(12,13)14)10(7-17-3)5-4-6-15/h9-10H,4-8,15H2,1-3H3.
What are the key properties of 5-methoxy-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pentane-1,4-diamine?
5-methoxy-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pentane-1,4-diamine has a molecular weight of 256.31 g/mol, XLogP of 2.01, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-N-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pentane-1,4-diamine is sourced from PubChem (CID 103391840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).