2-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine;hydrochloride

C10H18ClNO — CID 50999742

IUPAC2-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine;hydrochloride
SMILESCc1ccc(CNCC(C)C)o1.Cl
InChIInChI=1S/C10H17NO.ClH/c1-8(2)6-11-7-10-5-4-9(3)12-10;/h4-5,8,11H,6-7H2,1-3H3;1H
InChIKeyTZWQWXQXYPBZBN-UHFFFAOYSA-N
MW203.71 g/mol
LogP2.76
Rot. Bonds4

About 2-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine;hydrochloride

2-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine;hydrochloride (PubChem CID 50999742) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is 2-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine;hydrochloride.

Molecular Properties

Compound Name2-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine;hydrochloride
PubChem CID50999742
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC Name2-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine;hydrochloride
SMILESCc1ccc(CNCC(C)C)o1.Cl
InChIInChI=1S/C10H17NO.ClH/c1-8(2)6-11-7-10-5-4-9(3)12-10;/h4-5,8,11H,6-7H2,1-3H3;1H
InChIKeyTZWQWXQXYPBZBN-UHFFFAOYSA-N
XLogP2.76
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.71
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N,2-N-dimethyl-1-N-[(5-methylfuran-2-yl)methyl]propane-1,2-diamine
CID 61044402
N-methyl-N'-[(5-methylfuran-2-yl)methyl]-2-propan-2-ylpropane-1,3-diamine
CID 115252837
[(5-methylfuran-2-yl)methylamino]methanol
CID 115229060
2-methyl-N-[(5-methylfuran-2-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 60957579
2-hydroxy-3-[(5-methylfuran-2-yl)methylamino]propanamide
CID 106170390
1-(5-methylfuran-2-yl)-N-(2-methylpropoxy)methanamine
CID 82711189
4-methoxy-1-N-[(5-methylfuran-2-yl)methyl]butane-1,2-diamine
CID 62523205
N-(methoxymethyl)-1-(5-methylfuran-2-yl)methanamine
CID 115258606
1-(diethylamino)-3-[(5-methylfuran-2-yl)methylamino]propan-2-ol
CID 55081357
2-[(5-methylfuran-2-yl)methylamino]-1-(2-methylphenyl)ethanol
CID 111118617
1-(4-fluorophenyl)-2-[(5-methylfuran-2-yl)methylamino]ethanol
CID 60761067
N'-butan-2-yl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 62525254

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine;hydrochloride?
The IUPAC name of 2-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine;hydrochloride (CID 50999742) is 2-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine;hydrochloride.
What is the SMILES notation for 2-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine;hydrochloride?
The canonical SMILES for 2-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine;hydrochloride is Cc1ccc(CNCC(C)C)o1.Cl.
What is the InChIKey of 2-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine;hydrochloride?
The InChIKey is TZWQWXQXYPBZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO.ClH/c1-8(2)6-11-7-10-5-4-9(3)12-10;/h4-5,8,11H,6-7H2,1-3H3;1H.
What are the key properties of 2-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine;hydrochloride?
2-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine;hydrochloride has a molecular weight of 203.71 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine;hydrochloride is sourced from PubChem (CID 50999742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).