N-(furan-3-ylmethyl)-2-methylpropan-1-amine;hydrochloride

C9H16ClNO — CID 167715635

IUPACN-(furan-3-ylmethyl)-2-methylpropan-1-amine;hydrochloride
SMILESCC(C)CNCc1ccoc1.Cl
InChIInChI=1S/C9H15NO.ClH/c1-8(2)5-10-6-9-3-4-11-7-9;/h3-4,7-8,10H,5-6H2,1-2H3;1H
InChIKeyBGRYOBCECOIHLZ-UHFFFAOYSA-N
MW189.69 g/mol
LogP2.45
Rot. Bonds4

About N-(furan-3-ylmethyl)-2-methylpropan-1-amine;hydrochloride

N-(furan-3-ylmethyl)-2-methylpropan-1-amine;hydrochloride (PubChem CID 167715635) has the molecular formula C9H16ClNO and a molecular weight of 189.69 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-2-methylpropan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-2-methylpropan-1-amine;hydrochloride
PubChem CID167715635
Molecular FormulaC9H16ClNO
Molecular Weight189.69 g/mol
Exact Mass189.09
IUPAC NameN-(furan-3-ylmethyl)-2-methylpropan-1-amine;hydrochloride
SMILESCC(C)CNCc1ccoc1.Cl
InChIInChI=1S/C9H15NO.ClH/c1-8(2)5-10-6-9-3-4-11-7-9;/h3-4,7-8,10H,5-6H2,1-2H3;1H
InChIKeyBGRYOBCECOIHLZ-UHFFFAOYSA-N
XLogP2.45
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.69
LogP ≤ 52.45
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-methylpropan-1-amine;hydrochloride?
The IUPAC name of N-(furan-3-ylmethyl)-2-methylpropan-1-amine;hydrochloride (CID 167715635) is N-(furan-3-ylmethyl)-2-methylpropan-1-amine;hydrochloride.
What is the SMILES notation for N-(furan-3-ylmethyl)-2-methylpropan-1-amine;hydrochloride?
The canonical SMILES for N-(furan-3-ylmethyl)-2-methylpropan-1-amine;hydrochloride is CC(C)CNCc1ccoc1.Cl.
What is the InChIKey of N-(furan-3-ylmethyl)-2-methylpropan-1-amine;hydrochloride?
The InChIKey is BGRYOBCECOIHLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO.ClH/c1-8(2)5-10-6-9-3-4-11-7-9;/h3-4,7-8,10H,5-6H2,1-2H3;1H.
What are the key properties of N-(furan-3-ylmethyl)-2-methylpropan-1-amine;hydrochloride?
N-(furan-3-ylmethyl)-2-methylpropan-1-amine;hydrochloride has a molecular weight of 189.69 g/mol, XLogP of 2.45, 4 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-methylpropan-1-amine;hydrochloride is sourced from PubChem (CID 167715635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).