N-(4-ethylsulfanylbutan-2-yl)-4-(furan-2-yl)butan-2-amine

C14H25NOS — CID 115725476

IUPACN-(4-ethylsulfanylbutan-2-yl)-4-(furan-2-yl)butan-2-amine
SMILESCCSCCC(C)NC(C)CCc1ccco1
InChIInChI=1S/C14H25NOS/c1-4-17-11-9-13(3)15-12(2)7-8-14-6-5-10-16-14/h5-6,10,12-13,15H,4,7-9,11H2,1-3H3
InChIKeyDCRWJXWZBKUBMR-UHFFFAOYSA-N
MW255.43 g/mol
LogP3.72
Rot. Bonds9

About N-(4-ethylsulfanylbutan-2-yl)-4-(furan-2-yl)butan-2-amine

N-(4-ethylsulfanylbutan-2-yl)-4-(furan-2-yl)butan-2-amine (PubChem CID 115725476) has the molecular formula C14H25NOS and a molecular weight of 255.43 g/mol. Its IUPAC name is N-(4-ethylsulfanylbutan-2-yl)-4-(furan-2-yl)butan-2-amine.

Molecular Properties

Compound NameN-(4-ethylsulfanylbutan-2-yl)-4-(furan-2-yl)butan-2-amine
PubChem CID115725476
Molecular FormulaC14H25NOS
Molecular Weight255.43 g/mol
Exact Mass255.17
IUPAC NameN-(4-ethylsulfanylbutan-2-yl)-4-(furan-2-yl)butan-2-amine
SMILESCCSCCC(C)NC(C)CCc1ccco1
InChIInChI=1S/C14H25NOS/c1-4-17-11-9-13(3)15-12(2)7-8-14-6-5-10-16-14/h5-6,10,12-13,15H,4,7-9,11H2,1-3H3
InChIKeyDCRWJXWZBKUBMR-UHFFFAOYSA-N
XLogP3.72
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-N-[4-(furan-2-yl)butan-2-yl]pentan-2-amine
CID 63842275
4-(furan-2-yl)-N-(1-phenylethyl)butan-2-amine
CID 43182410
4-ethylsulfanyl-1-(furan-2-yl)butan-2-ol
CID 116504764
N-[4-(furan-2-yl)butan-2-yl]-2-methyl-1-phenylpropan-1-amine
CID 43685449
N-butyl-4-(furan-2-yl)butan-2-amine
CID 43182419
2-[4-(furan-2-yl)butan-2-ylamino]butanoic acid
CID 64669169
2-[4-(furan-2-yl)butan-2-ylamino]-N'-hydroxypropanimidamide
CID 77030711
4-(furan-2-yl)-N-[(1R)-1-(4-methylphenyl)ethyl]butan-2-amine
CID 81349155
N-[4-(furan-2-yl)butan-2-yl]-2-methylpentan-1-amine
CID 43205393
4-(furan-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]butan-2-amine
CID 81349893
N-[1-(3-chlorophenyl)propyl]-4-(furan-2-yl)butan-2-amine
CID 43093621
N-[1-(2-chlorophenyl)propan-2-yl]-4-(furan-2-yl)butan-2-amine
CID 43677543

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylsulfanylbutan-2-yl)-4-(furan-2-yl)butan-2-amine?
The IUPAC name of N-(4-ethylsulfanylbutan-2-yl)-4-(furan-2-yl)butan-2-amine (CID 115725476) is N-(4-ethylsulfanylbutan-2-yl)-4-(furan-2-yl)butan-2-amine.
What is the SMILES notation for N-(4-ethylsulfanylbutan-2-yl)-4-(furan-2-yl)butan-2-amine?
The canonical SMILES for N-(4-ethylsulfanylbutan-2-yl)-4-(furan-2-yl)butan-2-amine is CCSCCC(C)NC(C)CCc1ccco1.
What is the InChIKey of N-(4-ethylsulfanylbutan-2-yl)-4-(furan-2-yl)butan-2-amine?
The InChIKey is DCRWJXWZBKUBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NOS/c1-4-17-11-9-13(3)15-12(2)7-8-14-6-5-10-16-14/h5-6,10,12-13,15H,4,7-9,11H2,1-3H3.
What are the key properties of N-(4-ethylsulfanylbutan-2-yl)-4-(furan-2-yl)butan-2-amine?
N-(4-ethylsulfanylbutan-2-yl)-4-(furan-2-yl)butan-2-amine has a molecular weight of 255.43 g/mol, XLogP of 3.72, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylsulfanylbutan-2-yl)-4-(furan-2-yl)butan-2-amine is sourced from PubChem (CID 115725476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).