N-(furan-3-ylmethyl)-2-methylpentan-3-amine

C11H19NO — CID 63000846

IUPACN-(furan-3-ylmethyl)-2-methylpentan-3-amine
SMILESCCC(NCc1ccoc1)C(C)C
InChIInChI=1S/C11H19NO/c1-4-11(9(2)3)12-7-10-5-6-13-8-10/h5-6,8-9,11-12H,4,7H2,1-3H3
InChIKeyOBITWGMVEHZVEN-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.80
Rot. Bonds5

About N-(furan-3-ylmethyl)-2-methylpentan-3-amine

N-(furan-3-ylmethyl)-2-methylpentan-3-amine (PubChem CID 63000846) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-2-methylpentan-3-amine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-2-methylpentan-3-amine
PubChem CID63000846
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-(furan-3-ylmethyl)-2-methylpentan-3-amine
SMILESCCC(NCc1ccoc1)C(C)C
InChIInChI=1S/C11H19NO/c1-4-11(9(2)3)12-7-10-5-6-13-8-10/h5-6,8-9,11-12H,4,7H2,1-3H3
InChIKeyOBITWGMVEHZVEN-UHFFFAOYSA-N
XLogP2.80
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-2-methylpentan-3-amine?
The IUPAC name of N-(furan-3-ylmethyl)-2-methylpentan-3-amine (CID 63000846) is N-(furan-3-ylmethyl)-2-methylpentan-3-amine.
What is the SMILES notation for N-(furan-3-ylmethyl)-2-methylpentan-3-amine?
The canonical SMILES for N-(furan-3-ylmethyl)-2-methylpentan-3-amine is CCC(NCc1ccoc1)C(C)C.
What is the InChIKey of N-(furan-3-ylmethyl)-2-methylpentan-3-amine?
The InChIKey is OBITWGMVEHZVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-4-11(9(2)3)12-7-10-5-6-13-8-10/h5-6,8-9,11-12H,4,7H2,1-3H3.
What are the key properties of N-(furan-3-ylmethyl)-2-methylpentan-3-amine?
N-(furan-3-ylmethyl)-2-methylpentan-3-amine has a molecular weight of 181.28 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-2-methylpentan-3-amine is sourced from PubChem (CID 63000846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).