1,1-dicyclopropyl-N-(furan-3-ylmethyl)methanamine

C12H17NO — CID 63001509

IUPAC1,1-dicyclopropyl-N-(furan-3-ylmethyl)methanamine
SMILESc1cc(CNC(C2CC2)C2CC2)co1
InChIInChI=1S/C12H17NO/c1-2-10(1)12(11-3-4-11)13-7-9-5-6-14-8-9/h5-6,8,10-13H,1-4,7H2
InChIKeyGBSIOKIOGORICU-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.56
Rot. Bonds5

About 1,1-dicyclopropyl-N-(furan-3-ylmethyl)methanamine

1,1-dicyclopropyl-N-(furan-3-ylmethyl)methanamine (PubChem CID 63001509) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1,1-dicyclopropyl-N-(furan-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1,1-dicyclopropyl-N-(furan-3-ylmethyl)methanamine
PubChem CID63001509
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name1,1-dicyclopropyl-N-(furan-3-ylmethyl)methanamine
SMILESc1cc(CNC(C2CC2)C2CC2)co1
InChIInChI=1S/C12H17NO/c1-2-10(1)12(11-3-4-11)13-7-9-5-6-14-8-9/h5-6,8,10-13H,1-4,7H2
InChIKeyGBSIOKIOGORICU-UHFFFAOYSA-N
XLogP2.56
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-dicyclopropyl-N-(furan-3-ylmethyl)methanamine?
The IUPAC name of 1,1-dicyclopropyl-N-(furan-3-ylmethyl)methanamine (CID 63001509) is 1,1-dicyclopropyl-N-(furan-3-ylmethyl)methanamine.
What is the SMILES notation for 1,1-dicyclopropyl-N-(furan-3-ylmethyl)methanamine?
The canonical SMILES for 1,1-dicyclopropyl-N-(furan-3-ylmethyl)methanamine is c1cc(CNC(C2CC2)C2CC2)co1.
What is the InChIKey of 1,1-dicyclopropyl-N-(furan-3-ylmethyl)methanamine?
The InChIKey is GBSIOKIOGORICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-2-10(1)12(11-3-4-11)13-7-9-5-6-14-8-9/h5-6,8,10-13H,1-4,7H2.
What are the key properties of 1,1-dicyclopropyl-N-(furan-3-ylmethyl)methanamine?
1,1-dicyclopropyl-N-(furan-3-ylmethyl)methanamine has a molecular weight of 191.27 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dicyclopropyl-N-(furan-3-ylmethyl)methanamine is sourced from PubChem (CID 63001509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).