N-[[2-(furan-3-yl)cyclopropyl]methyl]propan-1-amine

C11H17NO — CID 63208002

IUPACN-[[2-(furan-3-yl)cyclopropyl]methyl]propan-1-amine
SMILESCCCNCC1CC1c1ccoc1
InChIInChI=1S/C11H17NO/c1-2-4-12-7-10-6-11(10)9-3-5-13-8-9/h3,5,8,10-12H,2,4,6-7H2,1H3
InChIKeyDWIRINLKLDCKSP-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.38
Rot. Bonds5

About N-[[2-(furan-3-yl)cyclopropyl]methyl]propan-1-amine

N-[[2-(furan-3-yl)cyclopropyl]methyl]propan-1-amine (PubChem CID 63208002) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is N-[[2-(furan-3-yl)cyclopropyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(furan-3-yl)cyclopropyl]methyl]propan-1-amine
PubChem CID63208002
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC NameN-[[2-(furan-3-yl)cyclopropyl]methyl]propan-1-amine
SMILESCCCNCC1CC1c1ccoc1
InChIInChI=1S/C11H17NO/c1-2-4-12-7-10-6-11(10)9-3-5-13-8-9/h3,5,8,10-12H,2,4,6-7H2,1H3
InChIKeyDWIRINLKLDCKSP-UHFFFAOYSA-N
XLogP2.38
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.38
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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Frequently Asked Questions

What is the IUPAC name of N-[[2-(furan-3-yl)cyclopropyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(furan-3-yl)cyclopropyl]methyl]propan-1-amine (CID 63208002) is N-[[2-(furan-3-yl)cyclopropyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(furan-3-yl)cyclopropyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(furan-3-yl)cyclopropyl]methyl]propan-1-amine is CCCNCC1CC1c1ccoc1.
What is the InChIKey of N-[[2-(furan-3-yl)cyclopropyl]methyl]propan-1-amine?
The InChIKey is DWIRINLKLDCKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-2-4-12-7-10-6-11(10)9-3-5-13-8-9/h3,5,8,10-12H,2,4,6-7H2,1H3.
What are the key properties of N-[[2-(furan-3-yl)cyclopropyl]methyl]propan-1-amine?
N-[[2-(furan-3-yl)cyclopropyl]methyl]propan-1-amine has a molecular weight of 179.26 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(furan-3-yl)cyclopropyl]methyl]propan-1-amine is sourced from PubChem (CID 63208002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).