N-butylfuran-3-amine

C8H13NO — CID 12009357

IUPACN-butylfuran-3-amine
SMILESCCCCNc1ccoc1
InChIInChI=1S/C8H13NO/c1-2-3-5-9-8-4-6-10-7-8/h4,6-7,9H,2-3,5H2,1H3
InChIKeyUHQHGLASRFJELJ-UHFFFAOYSA-N
MW139.20 g/mol
LogP2.49
Rot. Bonds4

About N-butylfuran-3-amine

N-butylfuran-3-amine (PubChem CID 12009357) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is N-butylfuran-3-amine.

Molecular Properties

Compound NameN-butylfuran-3-amine
PubChem CID12009357
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC NameN-butylfuran-3-amine
SMILESCCCCNc1ccoc1
InChIInChI=1S/C8H13NO/c1-2-3-5-9-8-4-6-10-7-8/h4,6-7,9H,2-3,5H2,1H3
InChIKeyUHQHGLASRFJELJ-UHFFFAOYSA-N
XLogP2.49
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(furan-3-yl)carbamate
CID 12207186
3-Acetamidofuran
CID 521882
Ammonium, (3-furyl)trimethyl-, iodide
CID 199990
4-(Furan-3-yl)morpholine
CID 12009355
3-Furylalanine
CID 22875442
3-Furylaminobutyric acid
CID 68798095
3-Furylurea
CID 101076529
Furan-3-yl(trimethyl)azanium
CID 199991
N-(2-fluoroethyl)furan-3-amine
CID 140143628
N-(2,2-difluoroethyl)furan-3-amine
CID 151412690
4,4-Difluoro-1-(furan-3-yl)piperidine
CID 175988490
N-(furan-3-yl)pent-4-enamide
CID 11105709

Frequently Asked Questions

What is the IUPAC name of N-butylfuran-3-amine?
The IUPAC name of N-butylfuran-3-amine (CID 12009357) is N-butylfuran-3-amine.
What is the SMILES notation for N-butylfuran-3-amine?
The canonical SMILES for N-butylfuran-3-amine is CCCCNc1ccoc1.
What is the InChIKey of N-butylfuran-3-amine?
The InChIKey is UHQHGLASRFJELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-2-3-5-9-8-4-6-10-7-8/h4,6-7,9H,2-3,5H2,1H3.
What are the key properties of N-butylfuran-3-amine?
N-butylfuran-3-amine has a molecular weight of 139.20 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylfuran-3-amine is sourced from PubChem (CID 12009357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).