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

C16H26N2O — CID 80997321

IUPACN-cyclopropyl-N-(furan-2-ylmethyl)-2-(propylaminomethyl)cyclobutan-1-amine
SMILESCCCNCC1CCC1N(Cc1ccco1)C1CC1
InChIInChI=1S/C16H26N2O/c1-2-9-17-11-13-5-8-16(13)18(14-6-7-14)12-15-4-3-10-19-15/h3-4,10,13-14,16-17H,2,5-9,11-12H2,1H3
InChIKeyWMJFFCYBOJYFOZ-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.02
Rot. Bonds8

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

N-cyclopropyl-N-(furan-2-ylmethyl)-2-(propylaminomethyl)cyclobutan-1-amine (PubChem CID 80997321) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-cyclopropyl-N-(furan-2-ylmethyl)-2-(propylaminomethyl)cyclobutan-1-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-(furan-2-ylmethyl)-2-(propylaminomethyl)cyclobutan-1-amine
PubChem CID80997321
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-cyclopropyl-N-(furan-2-ylmethyl)-2-(propylaminomethyl)cyclobutan-1-amine
SMILESCCCNCC1CCC1N(Cc1ccco1)C1CC1
InChIInChI=1S/C16H26N2O/c1-2-9-17-11-13-5-8-16(13)18(14-6-7-14)12-15-4-3-10-19-15/h3-4,10,13-14,16-17H,2,5-9,11-12H2,1H3
InChIKeyWMJFFCYBOJYFOZ-UHFFFAOYSA-N
XLogP3.02
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.02
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-(furan-2-ylmethyl)-N-methyl-2-(propylaminomethyl)cyclobutan-1-amine
CID 80998378
N-[[5-[[ethyl(furan-2-ylmethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62461228
N-(furan-2-ylmethyl)-N-[[3-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine
CID 62412040
2-[cyclopropyl(furan-2-ylmethyl)amino]-4-methylcyclohexane-1-carbonitrile
CID 55003320
2-[cyclopropyl(furan-2-ylmethyl)amino]cyclohexane-1-carboxylic acid
CID 63074561
N-cyclopropyl-2-[(2-methylpropylamino)methyl]-N-(thiophen-2-ylmethyl)cyclobutan-1-amine
CID 80996454
2-N-cyclopropyl-2-N-(furan-2-ylmethyl)-1-N-(2-methylbutan-2-yl)propane-1,2-diamine
CID 62569642
N-(cyclopentylmethyl)-N'-ethyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine
CID 62556677
N-cyclopropyl-N'-ethyl-N-(furan-2-ylmethyl)-2,2-dimethylpropane-1,3-diamine
CID 62259205
N-(3-methylbutyl)-N-[2-(propylaminomethyl)cyclobutyl]cyclopentanamine
CID 81004984
N-(2-butoxyethyl)-N'-cyclopropyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine
CID 62558803
N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N-(furan-2-ylmethyl)cyclopropanamine
CID 62413633

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(furan-2-ylmethyl)-2-(propylaminomethyl)cyclobutan-1-amine?
The IUPAC name of N-cyclopropyl-N-(furan-2-ylmethyl)-2-(propylaminomethyl)cyclobutan-1-amine (CID 80997321) is N-cyclopropyl-N-(furan-2-ylmethyl)-2-(propylaminomethyl)cyclobutan-1-amine.
What is the SMILES notation for N-cyclopropyl-N-(furan-2-ylmethyl)-2-(propylaminomethyl)cyclobutan-1-amine?
The canonical SMILES for N-cyclopropyl-N-(furan-2-ylmethyl)-2-(propylaminomethyl)cyclobutan-1-amine is CCCNCC1CCC1N(Cc1ccco1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(furan-2-ylmethyl)-2-(propylaminomethyl)cyclobutan-1-amine?
The InChIKey is WMJFFCYBOJYFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-2-9-17-11-13-5-8-16(13)18(14-6-7-14)12-15-4-3-10-19-15/h3-4,10,13-14,16-17H,2,5-9,11-12H2,1H3.
What are the key properties of N-cyclopropyl-N-(furan-2-ylmethyl)-2-(propylaminomethyl)cyclobutan-1-amine?
N-cyclopropyl-N-(furan-2-ylmethyl)-2-(propylaminomethyl)cyclobutan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(furan-2-ylmethyl)-2-(propylaminomethyl)cyclobutan-1-amine is sourced from PubChem (CID 80997321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).