N-[(1-methylcyclopropyl)methyl]-1-(3-methylfuran-2-yl)methanamine

C11H17NO — CID 103724331

IUPACN-[(1-methylcyclopropyl)methyl]-1-(3-methylfuran-2-yl)methanamine
SMILESCc1ccoc1CNCC1(C)CC1
InChIInChI=1S/C11H17NO/c1-9-3-6-13-10(9)7-12-8-11(2)4-5-11/h3,6,12H,4-5,7-8H2,1-2H3
InChIKeyLFDJBDYWLLTCQC-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.48
Rot. Bonds4

About N-[(1-methylcyclopropyl)methyl]-1-(3-methylfuran-2-yl)methanamine

N-[(1-methylcyclopropyl)methyl]-1-(3-methylfuran-2-yl)methanamine (PubChem CID 103724331) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is N-[(1-methylcyclopropyl)methyl]-1-(3-methylfuran-2-yl)methanamine.

Molecular Properties

Compound NameN-[(1-methylcyclopropyl)methyl]-1-(3-methylfuran-2-yl)methanamine
PubChem CID103724331
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC NameN-[(1-methylcyclopropyl)methyl]-1-(3-methylfuran-2-yl)methanamine
SMILESCc1ccoc1CNCC1(C)CC1
InChIInChI=1S/C11H17NO/c1-9-3-6-13-10(9)7-12-8-11(2)4-5-11/h3,6,12H,4-5,7-8H2,1-2H3
InChIKeyLFDJBDYWLLTCQC-UHFFFAOYSA-N
XLogP2.48
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-methylcyclohexyl)methyl]-1-(3-methylfuran-2-yl)methanamine
CID 103753029
1-(3-methylfuran-2-yl)-N-[(1-propan-2-ylcyclopropyl)methyl]methanamine
CID 115684793
1-[[(3-methylfuran-2-yl)methylamino]methyl]cycloheptan-1-ol
CID 115654205
3-[[(3-methylfuran-2-yl)methylamino]methyl]thiolan-3-ol
CID 111629674
2-methyl-N-[(3-methylfuran-2-yl)methyl]propan-1-amine
CID 60985208
1-[[(3-methylfuran-2-yl)methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol
CID 111466662
N-[(3-methylfuran-2-yl)methyl]-2-methylsulfonylethanamine
CID 115652921
(2R)-1-[(3-methylfuran-2-yl)methylamino]propan-2-ol
CID 103884242
2,2-dimethyl-N-[(3-methylfuran-2-yl)methyl]cyclohexan-1-amine
CID 115693333
2-methyl-2-[[(3-methylfuran-2-yl)methylamino]methyl]butan-1-ol
CID 115751882
2-cyclohexyl-N-[(3-methylfuran-2-yl)methyl]ethanamine
CID 115651871
1-cyclopropyl-2-[(3-methylfuran-2-yl)methylamino]ethanol
CID 115653950

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclopropyl)methyl]-1-(3-methylfuran-2-yl)methanamine?
The IUPAC name of N-[(1-methylcyclopropyl)methyl]-1-(3-methylfuran-2-yl)methanamine (CID 103724331) is N-[(1-methylcyclopropyl)methyl]-1-(3-methylfuran-2-yl)methanamine.
What is the SMILES notation for N-[(1-methylcyclopropyl)methyl]-1-(3-methylfuran-2-yl)methanamine?
The canonical SMILES for N-[(1-methylcyclopropyl)methyl]-1-(3-methylfuran-2-yl)methanamine is Cc1ccoc1CNCC1(C)CC1.
What is the InChIKey of N-[(1-methylcyclopropyl)methyl]-1-(3-methylfuran-2-yl)methanamine?
The InChIKey is LFDJBDYWLLTCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-9-3-6-13-10(9)7-12-8-11(2)4-5-11/h3,6,12H,4-5,7-8H2,1-2H3.
What are the key properties of N-[(1-methylcyclopropyl)methyl]-1-(3-methylfuran-2-yl)methanamine?
N-[(1-methylcyclopropyl)methyl]-1-(3-methylfuran-2-yl)methanamine has a molecular weight of 179.26 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclopropyl)methyl]-1-(3-methylfuran-2-yl)methanamine is sourced from PubChem (CID 103724331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).