N'-[(2R)-1-aminopropan-2-yl]-N-(5-fluorothiophen-3-yl)butane-1,4-diamine

C11H20FN3S — CID 175605784

IUPACN'-[(2R)-1-aminopropan-2-yl]-N-(5-fluorothiophen-3-yl)butane-1,4-diamine
SMILESC[C@H](CN)NCCCCNc1csc(F)c1
InChIInChI=1S/C11H20FN3S/c1-9(7-13)14-4-2-3-5-15-10-6-11(12)16-8-10/h6,8-9,14-15H,2-5,7,13H2,1H3/t9-/m1/s1
InChIKeyWKWWKDLJDQACDT-SECBINFHSA-N
MW245.37 g/mol
LogP2.02
Rot. Bonds8

About N'-[(2R)-1-aminopropan-2-yl]-N-(5-fluorothiophen-3-yl)butane-1,4-diamine

N'-[(2R)-1-aminopropan-2-yl]-N-(5-fluorothiophen-3-yl)butane-1,4-diamine (PubChem CID 175605784) has the molecular formula C11H20FN3S and a molecular weight of 245.37 g/mol. Its IUPAC name is N'-[(2R)-1-aminopropan-2-yl]-N-(5-fluorothiophen-3-yl)butane-1,4-diamine.

Molecular Properties

Compound NameN'-[(2R)-1-aminopropan-2-yl]-N-(5-fluorothiophen-3-yl)butane-1,4-diamine
PubChem CID175605784
Molecular FormulaC11H20FN3S
Molecular Weight245.37 g/mol
Exact Mass245.14
IUPAC NameN'-[(2R)-1-aminopropan-2-yl]-N-(5-fluorothiophen-3-yl)butane-1,4-diamine
SMILESC[C@H](CN)NCCCCNc1csc(F)c1
InChIInChI=1S/C11H20FN3S/c1-9(7-13)14-4-2-3-5-15-10-6-11(12)16-8-10/h6,8-9,14-15H,2-5,7,13H2,1H3/t9-/m1/s1
InChIKeyWKWWKDLJDQACDT-SECBINFHSA-N
XLogP2.02
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethylthiophen-3-amine hydrochloride
CID 165993990
N-butylthiophen-3-amine
CID 12181852
N-(2,2,2-trifluoroethyl)thiophen-3-amine
CID 66351501
N'-[(2S)-1-aminopropan-2-yl]-N-(5-fluorothiophen-3-yl)butane-1,4-diamine
CID 175605764
N-[[(2S)-azetidin-2-yl]methyl]-N'-(5-fluorothiophen-3-yl)butane-1,4-diamine
CID 175605775
(3R)-3-N-[4-[(5-fluorothiophen-3-yl)amino]butyl]butane-1,3-diamine
CID 175605778
N-[(2S)-2-aminopropyl]-N'-(5-fluorothiophen-3-yl)butane-1,4-diamine
CID 175605786
N-[[(2R)-azetidin-2-yl]methyl]-N'-(5-fluorothiophen-3-yl)butane-1,4-diamine
CID 175605787
N-prop-2-enylthiophen-3-amine
CID 55300554
3-[2-(Thiophen-3-ylamino)ethyl]propane-1,3-diamine
CID 129759298
3-[3-(Thiophen-3-ylamino)-propyl]propane-1,3-diamine
CID 129759568
N-(2,2-difluoroethyl)thiophen-3-amine
CID 66349735

Frequently Asked Questions

What is the IUPAC name of N'-[(2R)-1-aminopropan-2-yl]-N-(5-fluorothiophen-3-yl)butane-1,4-diamine?
The IUPAC name of N'-[(2R)-1-aminopropan-2-yl]-N-(5-fluorothiophen-3-yl)butane-1,4-diamine (CID 175605784) is N'-[(2R)-1-aminopropan-2-yl]-N-(5-fluorothiophen-3-yl)butane-1,4-diamine.
What is the SMILES notation for N'-[(2R)-1-aminopropan-2-yl]-N-(5-fluorothiophen-3-yl)butane-1,4-diamine?
The canonical SMILES for N'-[(2R)-1-aminopropan-2-yl]-N-(5-fluorothiophen-3-yl)butane-1,4-diamine is C[C@H](CN)NCCCCNc1csc(F)c1.
What is the InChIKey of N'-[(2R)-1-aminopropan-2-yl]-N-(5-fluorothiophen-3-yl)butane-1,4-diamine?
The InChIKey is WKWWKDLJDQACDT-SECBINFHSA-N. The full InChI is InChI=1S/C11H20FN3S/c1-9(7-13)14-4-2-3-5-15-10-6-11(12)16-8-10/h6,8-9,14-15H,2-5,7,13H2,1H3/t9-/m1/s1.
What are the key properties of N'-[(2R)-1-aminopropan-2-yl]-N-(5-fluorothiophen-3-yl)butane-1,4-diamine?
N'-[(2R)-1-aminopropan-2-yl]-N-(5-fluorothiophen-3-yl)butane-1,4-diamine has a molecular weight of 245.37 g/mol, XLogP of 2.02, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2R)-1-aminopropan-2-yl]-N-(5-fluorothiophen-3-yl)butane-1,4-diamine is sourced from PubChem (CID 175605784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).