N-(furan-2-ylmethyl)-N-methyl-2-(propylaminomethyl)cyclobutan-1-amine

C14H24N2O — CID 80998378

IUPACN-(furan-2-ylmethyl)-N-methyl-2-(propylaminomethyl)cyclobutan-1-amine
SMILESCCCNCC1CCC1N(C)Cc1ccco1
InChIInChI=1S/C14H24N2O/c1-3-8-15-10-12-6-7-14(12)16(2)11-13-5-4-9-17-13/h4-5,9,12,14-15H,3,6-8,10-11H2,1-2H3
InChIKeyLLLAIDUZBZADSE-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.49
Rot. Bonds7

About N-(furan-2-ylmethyl)-N-methyl-2-(propylaminomethyl)cyclobutan-1-amine

N-(furan-2-ylmethyl)-N-methyl-2-(propylaminomethyl)cyclobutan-1-amine (PubChem CID 80998378) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-methyl-2-(propylaminomethyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-methyl-2-(propylaminomethyl)cyclobutan-1-amine
PubChem CID80998378
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-(furan-2-ylmethyl)-N-methyl-2-(propylaminomethyl)cyclobutan-1-amine
SMILESCCCNCC1CCC1N(C)Cc1ccco1
InChIInChI=1S/C14H24N2O/c1-3-8-15-10-12-6-7-14(12)16(2)11-13-5-4-9-17-13/h4-5,9,12,14-15H,3,6-8,10-11H2,1-2H3
InChIKeyLLLAIDUZBZADSE-UHFFFAOYSA-N
XLogP2.49
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-N-(furan-2-ylmethyl)-2-(propylaminomethyl)cyclobutan-1-amine
CID 80997321
N-[[5-[[ethyl(furan-2-ylmethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62461228
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(propylaminomethyl)cyclobutan-1-amine
CID 80998324
2-[[furan-2-ylmethyl(methyl)amino]methyl]-N-propylcyclopentan-1-amine
CID 62616260
N-(cyclopentylmethyl)-N'-ethyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine
CID 62556677
N-(furan-2-ylmethyl)-N-[[3-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine
CID 62412040
3-[[furan-2-ylmethyl(methyl)amino]methyl]-N-propyloxan-4-amine
CID 103058819
N,N-dipropyl-2-(propylaminomethyl)cyclobutan-1-amine
CID 80999442
N-methyl-N-pentan-2-yl-2-(propylaminomethyl)cyclobutan-1-amine
CID 80998398
N-(furan-2-ylmethyl)-N,2-dimethyl-4-(propylaminomethyl)aniline
CID 62121867
3-N-ethyl-3-N-(furan-2-ylmethyl)-1-N-propylbutane-1,3-diamine
CID 62461756
N-methyl-N-(2-methylbutan-2-yl)-2-(propylaminomethyl)cyclobutan-1-amine
CID 81005048

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-methyl-2-(propylaminomethyl)cyclobutan-1-amine?
The IUPAC name of N-(furan-2-ylmethyl)-N-methyl-2-(propylaminomethyl)cyclobutan-1-amine (CID 80998378) is N-(furan-2-ylmethyl)-N-methyl-2-(propylaminomethyl)cyclobutan-1-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-methyl-2-(propylaminomethyl)cyclobutan-1-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-N-methyl-2-(propylaminomethyl)cyclobutan-1-amine is CCCNCC1CCC1N(C)Cc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-methyl-2-(propylaminomethyl)cyclobutan-1-amine?
The InChIKey is LLLAIDUZBZADSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-3-8-15-10-12-6-7-14(12)16(2)11-13-5-4-9-17-13/h4-5,9,12,14-15H,3,6-8,10-11H2,1-2H3.
What are the key properties of N-(furan-2-ylmethyl)-N-methyl-2-(propylaminomethyl)cyclobutan-1-amine?
N-(furan-2-ylmethyl)-N-methyl-2-(propylaminomethyl)cyclobutan-1-amine has a molecular weight of 236.36 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-methyl-2-(propylaminomethyl)cyclobutan-1-amine is sourced from PubChem (CID 80998378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).