4-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)butan-2-amine

C14H21N3O — CID 43478949

IUPAC4-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)butan-2-amine
SMILESCC(CCc1ccco1)NCCCn1ccnc1
InChIInChI=1S/C14H21N3O/c1-13(5-6-14-4-2-11-18-14)16-7-3-9-17-10-8-15-12-17/h2,4,8,10-13,16H,3,5-7,9H2,1H3
InChIKeyBDFUJLVNTNMIMU-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.48
Rot. Bonds8

About 4-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)butan-2-amine

4-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)butan-2-amine (PubChem CID 43478949) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)butan-2-amine.

Molecular Properties

Compound Name4-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)butan-2-amine
PubChem CID43478949
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name4-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)butan-2-amine
SMILESCC(CCc1ccco1)NCCCn1ccnc1
InChIInChI=1S/C14H21N3O/c1-13(5-6-14-4-2-11-18-14)16-7-3-9-17-10-8-15-12-17/h2,4,8,10-13,16H,3,5-7,9H2,1H3
InChIKeyBDFUJLVNTNMIMU-UHFFFAOYSA-N
XLogP2.48
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-2-ylmethyl)-3-imidazol-1-ylpropan-1-amine
CID 17156294
N-butyl-4-(furan-2-yl)butan-2-amine
CID 43182419
N-(furan-2-ylmethyl)-4-imidazol-1-ylbutan-1-amine
CID 61067392
(2S)-N-(3-imidazol-1-ylpropyl)-1-(2-methylphenyl)propan-2-amine
CID 97228959
4-(furan-2-yl)-N-[3-(2-methylpropoxy)propyl]butan-2-amine
CID 43478908
N-[1-(2-fluorophenyl)ethyl]-3-imidazol-1-ylpropan-1-amine
CID 43126802
(2R)-N-(3-imidazol-1-ylpropyl)-1-methoxypropan-2-amine
CID 94210912
4-(furan-2-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]butan-2-amine
CID 80682006
4-(furan-2-yl)-N-[2-(3-methoxypropoxy)ethyl]butan-2-amine
CID 103178791
4-(furan-2-yl)-N-(2-morpholin-4-ylethyl)butan-2-amine
CID 43393721
N-(furan-2-ylmethyl)-3-imidazol-1-yl-2-methylpropan-1-amine;hydrochloride
CID 115595868
1-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)propan-2-amine
CID 57069299

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)butan-2-amine?
The IUPAC name of 4-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)butan-2-amine (CID 43478949) is 4-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)butan-2-amine.
What is the SMILES notation for 4-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)butan-2-amine?
The canonical SMILES for 4-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)butan-2-amine is CC(CCc1ccco1)NCCCn1ccnc1.
What is the InChIKey of 4-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)butan-2-amine?
The InChIKey is BDFUJLVNTNMIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-13(5-6-14-4-2-11-18-14)16-7-3-9-17-10-8-15-12-17/h2,4,8,10-13,16H,3,5-7,9H2,1H3.
What are the key properties of 4-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)butan-2-amine?
4-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)butan-2-amine has a molecular weight of 247.34 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)butan-2-amine is sourced from PubChem (CID 43478949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).