4-(furan-3-yl)-N,N-dimethylbutan-1-amine

C10H17NO — CID 59675846

IUPAC4-(furan-3-yl)-N,N-dimethylbutan-1-amine
SMILESCN(C)CCCCc1ccoc1
InChIInChI=1S/C10H17NO/c1-11(2)7-4-3-5-10-6-8-12-9-10/h6,8-9H,3-5,7H2,1-2H3
InChIKeyRHPUKGLPPHDCCZ-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.16
Rot. Bonds5

About 4-(furan-3-yl)-N,N-dimethylbutan-1-amine

4-(furan-3-yl)-N,N-dimethylbutan-1-amine (PubChem CID 59675846) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 4-(furan-3-yl)-N,N-dimethylbutan-1-amine.

Molecular Properties

Compound Name4-(furan-3-yl)-N,N-dimethylbutan-1-amine
PubChem CID59675846
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name4-(furan-3-yl)-N,N-dimethylbutan-1-amine
SMILESCN(C)CCCCc1ccoc1
InChIInChI=1S/C10H17NO/c1-11(2)7-4-3-5-10-6-8-12-9-10/h6,8-9H,3-5,7H2,1-2H3
InChIKeyRHPUKGLPPHDCCZ-UHFFFAOYSA-N
XLogP2.16
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-3-yl)-N,N-dimethylbutan-1-amine?
The IUPAC name of 4-(furan-3-yl)-N,N-dimethylbutan-1-amine (CID 59675846) is 4-(furan-3-yl)-N,N-dimethylbutan-1-amine.
What is the SMILES notation for 4-(furan-3-yl)-N,N-dimethylbutan-1-amine?
The canonical SMILES for 4-(furan-3-yl)-N,N-dimethylbutan-1-amine is CN(C)CCCCc1ccoc1.
What is the InChIKey of 4-(furan-3-yl)-N,N-dimethylbutan-1-amine?
The InChIKey is RHPUKGLPPHDCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-11(2)7-4-3-5-10-6-8-12-9-10/h6,8-9H,3-5,7H2,1-2H3.
What are the key properties of 4-(furan-3-yl)-N,N-dimethylbutan-1-amine?
4-(furan-3-yl)-N,N-dimethylbutan-1-amine has a molecular weight of 167.25 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-3-yl)-N,N-dimethylbutan-1-amine is sourced from PubChem (CID 59675846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).