N-(furan-3-ylmethyl)-2,2-dimethylpropan-1-amine

C10H17NO — CID 21304881

IUPACN-(furan-3-ylmethyl)-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)CNCc1ccoc1
InChIInChI=1S/C10H17NO/c1-10(2,3)8-11-6-9-4-5-12-7-9/h4-5,7,11H,6,8H2,1-3H3
InChIKeyATITZOUWRRPDGO-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.42
Rot. Bonds3

About N-(furan-3-ylmethyl)-2,2-dimethylpropan-1-amine

N-(furan-3-ylmethyl)-2,2-dimethylpropan-1-amine (PubChem CID 21304881) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-2,2-dimethylpropan-1-amine
PubChem CID21304881
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC NameN-(furan-3-ylmethyl)-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)CNCc1ccoc1
InChIInChI=1S/C10H17NO/c1-10(2,3)8-11-6-9-4-5-12-7-9/h4-5,7,11H,6,8H2,1-3H3
InChIKeyATITZOUWRRPDGO-UHFFFAOYSA-N
XLogP2.42
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.42
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)-2,2-dimethylpropan-1-amine?
The IUPAC name of N-(furan-3-ylmethyl)-2,2-dimethylpropan-1-amine (CID 21304881) is N-(furan-3-ylmethyl)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for N-(furan-3-ylmethyl)-2,2-dimethylpropan-1-amine?
The canonical SMILES for N-(furan-3-ylmethyl)-2,2-dimethylpropan-1-amine is CC(C)(C)CNCc1ccoc1.
What is the InChIKey of N-(furan-3-ylmethyl)-2,2-dimethylpropan-1-amine?
The InChIKey is ATITZOUWRRPDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-10(2,3)8-11-6-9-4-5-12-7-9/h4-5,7,11H,6,8H2,1-3H3.
What are the key properties of N-(furan-3-ylmethyl)-2,2-dimethylpropan-1-amine?
N-(furan-3-ylmethyl)-2,2-dimethylpropan-1-amine has a molecular weight of 167.25 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 21304881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).