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

C11H17NO — CID 97035488

IUPAC1-cyclobutyl-N-[(2-methylfuran-3-yl)methyl]methanamine
SMILESCc1occc1CNCC1CCC1
InChIInChI=1S/C11H17NO/c1-9-11(5-6-13-9)8-12-7-10-3-2-4-10/h5-6,10,12H,2-4,7-8H2,1H3
InChIKeyJYNZNQLMFIQCED-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.48
Rot. Bonds4

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

1-cyclobutyl-N-[(2-methylfuran-3-yl)methyl]methanamine (PubChem CID 97035488) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-cyclobutyl-N-[(2-methylfuran-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-cyclobutyl-N-[(2-methylfuran-3-yl)methyl]methanamine
PubChem CID97035488
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-cyclobutyl-N-[(2-methylfuran-3-yl)methyl]methanamine
SMILESCc1occc1CNCC1CCC1
InChIInChI=1S/C11H17NO/c1-9-11(5-6-13-9)8-12-7-10-3-2-4-10/h5-6,10,12H,2-4,7-8H2,1H3
InChIKeyJYNZNQLMFIQCED-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

Analyze 1-cyclobutyl-N-[(2-methylfuran-3-yl)methyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-[(cyclopentylmethylamino)methyl]furan-2-carboxylate
CID 43775570
3-[(cyclohexylmethylamino)methyl]furan-2-carboxylic acid
CID 103237829
1-cyclobutyl-N-[(4-methylphenyl)methyl]methanamine
CID 43298526
N-(1-benzofuran-3-ylmethyl)-1-cyclopentylmethanamine
CID 80700500
2-[(cyclopentylmethylamino)methyl]phenol
CID 43370918
N-benzyl-1-cyclobutylmethanamine;methanol
CID 170726729
1-cyclobutyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine
CID 43298524
1-cyclobutyl-N-(naphthalen-1-ylmethyl)methanamine
CID 43298553
(E)-N-(cyclobutylmethyl)-3-(furan-2-yl)prop-2-en-1-amine
CID 115865985
1-cyclobutyl-N-(quinolin-4-ylmethyl)methanamine
CID 63850221
1-cyclohexyl-N-[(3,4-dimethylphenyl)methyl]methanamine
CID 43220454
(2-methylfuran-3-yl)methylurea
CID 130639643

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-[(2-methylfuran-3-yl)methyl]methanamine?
The IUPAC name of 1-cyclobutyl-N-[(2-methylfuran-3-yl)methyl]methanamine (CID 97035488) is 1-cyclobutyl-N-[(2-methylfuran-3-yl)methyl]methanamine.
What is the SMILES notation for 1-cyclobutyl-N-[(2-methylfuran-3-yl)methyl]methanamine?
The canonical SMILES for 1-cyclobutyl-N-[(2-methylfuran-3-yl)methyl]methanamine is Cc1occc1CNCC1CCC1.
What is the InChIKey of 1-cyclobutyl-N-[(2-methylfuran-3-yl)methyl]methanamine?
The InChIKey is JYNZNQLMFIQCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-9-11(5-6-13-9)8-12-7-10-3-2-4-10/h5-6,10,12H,2-4,7-8H2,1H3.
What are the key properties of 1-cyclobutyl-N-[(2-methylfuran-3-yl)methyl]methanamine?
1-cyclobutyl-N-[(2-methylfuran-3-yl)methyl]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 1-cyclobutyl-N-[(2-methylfuran-3-yl)methyl]methanamine is sourced from PubChem (CID 97035488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).