1-[(3-fluoropropylamino)methyl]-N,N-dimethylcyclobutan-1-amine

C10H21FN2 — CID 105416506

IUPAC1-[(3-fluoropropylamino)methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCN(C)C1(CNCCCF)CCC1
InChIInChI=1S/C10H21FN2/c1-13(2)10(5-3-6-10)9-12-8-4-7-11/h12H,3-9H2,1-2H3
InChIKeyDAYITLYUSOJTMS-UHFFFAOYSA-N
MW188.29 g/mol
LogP1.42
Rot. Bonds6

About 1-[(3-fluoropropylamino)methyl]-N,N-dimethylcyclobutan-1-amine

1-[(3-fluoropropylamino)methyl]-N,N-dimethylcyclobutan-1-amine (PubChem CID 105416506) has the molecular formula C10H21FN2 and a molecular weight of 188.29 g/mol. Its IUPAC name is 1-[(3-fluoropropylamino)methyl]-N,N-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name1-[(3-fluoropropylamino)methyl]-N,N-dimethylcyclobutan-1-amine
PubChem CID105416506
Molecular FormulaC10H21FN2
Molecular Weight188.29 g/mol
Exact Mass188.17
IUPAC Name1-[(3-fluoropropylamino)methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCN(C)C1(CNCCCF)CCC1
InChIInChI=1S/C10H21FN2/c1-13(2)10(5-3-6-10)9-12-8-4-7-11/h12H,3-9H2,1-2H3
InChIKeyDAYITLYUSOJTMS-UHFFFAOYSA-N
XLogP1.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-((Dimethylamino)methyl)cyclobutan-1-amine
CID 81176754
1-(aminomethyl)-N,N-dimethylcyclobutan-1-amine
CID 10606763
N,N-dimethyl-1-((methylamino)methyl)cyclobutan-1-amine
CID 75481734
1-(aminomethyl)-N-methylcyclobutan-1-amine
CID 79002420
5-Methyl-5,8-diazaspiro[3.5]nonane
CID 84020677
9-Methyl-5,9-diazaspiro[3.6]decane
CID 177801851
Tetraethyldiethylenetriamine
CID 18364441
N-[2-(4-fluoropiperidin-1-yl)ethyl]-2-methylpropan-2-amine
CID 21030134
N-[(1-fluorocyclobutyl)methyl]propan-2-amine
CID 130684771
1-[(1-Fluorocyclobutyl)methyl]piperazine
CID 137367437
N-tert-butyl-3-fluoro-3-methylcyclobutan-1-amine
CID 139319988
N-[(1-fluorocyclobutyl)methyl]propan-1-amine
CID 163239306

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoropropylamino)methyl]-N,N-dimethylcyclobutan-1-amine?
The IUPAC name of 1-[(3-fluoropropylamino)methyl]-N,N-dimethylcyclobutan-1-amine (CID 105416506) is 1-[(3-fluoropropylamino)methyl]-N,N-dimethylcyclobutan-1-amine.
What is the SMILES notation for 1-[(3-fluoropropylamino)methyl]-N,N-dimethylcyclobutan-1-amine?
The canonical SMILES for 1-[(3-fluoropropylamino)methyl]-N,N-dimethylcyclobutan-1-amine is CN(C)C1(CNCCCF)CCC1.
What is the InChIKey of 1-[(3-fluoropropylamino)methyl]-N,N-dimethylcyclobutan-1-amine?
The InChIKey is DAYITLYUSOJTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21FN2/c1-13(2)10(5-3-6-10)9-12-8-4-7-11/h12H,3-9H2,1-2H3.
What are the key properties of 1-[(3-fluoropropylamino)methyl]-N,N-dimethylcyclobutan-1-amine?
1-[(3-fluoropropylamino)methyl]-N,N-dimethylcyclobutan-1-amine has a molecular weight of 188.29 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoropropylamino)methyl]-N,N-dimethylcyclobutan-1-amine is sourced from PubChem (CID 105416506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).