2-methyl-N-[(3-methylfuran-2-yl)methyl]propan-1-amine

C10H17NO — CID 60985208

IUPAC2-methyl-N-[(3-methylfuran-2-yl)methyl]propan-1-amine
SMILESCc1ccoc1CNCC(C)C
InChIInChI=1S/C10H17NO/c1-8(2)6-11-7-10-9(3)4-5-12-10/h4-5,8,11H,6-7H2,1-3H3
InChIKeyHTLVTWWUKITQQD-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.33
Rot. Bonds4

About 2-methyl-N-[(3-methylfuran-2-yl)methyl]propan-1-amine

2-methyl-N-[(3-methylfuran-2-yl)methyl]propan-1-amine (PubChem CID 60985208) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-methyl-N-[(3-methylfuran-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(3-methylfuran-2-yl)methyl]propan-1-amine
PubChem CID60985208
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2-methyl-N-[(3-methylfuran-2-yl)methyl]propan-1-amine
SMILESCc1ccoc1CNCC(C)C
InChIInChI=1S/C10H17NO/c1-8(2)6-11-7-10-9(3)4-5-12-10/h4-5,8,11H,6-7H2,1-3H3
InChIKeyHTLVTWWUKITQQD-UHFFFAOYSA-N
XLogP2.33
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-[(3-methylfuran-2-yl)methylamino]propan-2-ol
CID 103884242
2-methyl-3-[(3-methylfuran-2-yl)methylamino]propanenitrile
CID 104587012
2,2,4-trimethyl-N-[(3-methylfuran-2-yl)methyl]pentan-1-amine;hydrochloride
CID 115683798
1-cyclopropyl-2-[(3-methylfuran-2-yl)methylamino]ethanol
CID 115653950
3-methyl-N-[(3-methylfuran-2-yl)methyl]-2-(4-methylpiperazin-1-yl)butan-1-amine
CID 115652029
2-methyl-N-[[3-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62441488
1-(3-methylfuran-2-yl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine
CID 115684793
4-methyl-1-[(3-methylfuran-2-yl)methylamino]pentan-3-ol
CID 111468077
(1S)-N-[(3-methylfuran-2-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 113488659
(1R)-N-[(3-methylfuran-2-yl)methyl]-1-phenylethanamine
CID 114986470
N-[(3-methylfuran-2-yl)methyl]-1-phenylethanamine
CID 115651338
2-[(3-methylfuran-2-yl)methylamino]propan-1-ol
CID 115656397

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3-methylfuran-2-yl)methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[(3-methylfuran-2-yl)methyl]propan-1-amine (CID 60985208) is 2-methyl-N-[(3-methylfuran-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[(3-methylfuran-2-yl)methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[(3-methylfuran-2-yl)methyl]propan-1-amine is Cc1ccoc1CNCC(C)C.
What is the InChIKey of 2-methyl-N-[(3-methylfuran-2-yl)methyl]propan-1-amine?
The InChIKey is HTLVTWWUKITQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-8(2)6-11-7-10-9(3)4-5-12-10/h4-5,8,11H,6-7H2,1-3H3.
What are the key properties of 2-methyl-N-[(3-methylfuran-2-yl)methyl]propan-1-amine?
2-methyl-N-[(3-methylfuran-2-yl)methyl]propan-1-amine has a molecular weight of 167.25 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3-methylfuran-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 60985208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).