N-fluoro-N,2,2,4,4-pentamethylcyclobutan-1-amine

C9H18FN — CID 167147715

IUPACN-fluoro-N,2,2,4,4-pentamethylcyclobutan-1-amine
SMILESCN(F)C1C(C)(C)CC1(C)C
InChIInChI=1S/C9H18FN/c1-8(2)6-9(3,4)7(8)11(5)10/h7H,6H2,1-5H3
InChIKeyHFPNLOMJNLKOJV-UHFFFAOYSA-N
MW159.25 g/mol
LogP2.63
Rot. Bonds1

About N-fluoro-N,2,2,4,4-pentamethylcyclobutan-1-amine

N-fluoro-N,2,2,4,4-pentamethylcyclobutan-1-amine (PubChem CID 167147715) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is N-fluoro-N,2,2,4,4-pentamethylcyclobutan-1-amine.

Molecular Properties

Compound NameN-fluoro-N,2,2,4,4-pentamethylcyclobutan-1-amine
PubChem CID167147715
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC NameN-fluoro-N,2,2,4,4-pentamethylcyclobutan-1-amine
SMILESCN(F)C1C(C)(C)CC1(C)C
InChIInChI=1S/C9H18FN/c1-8(2)6-9(3,4)7(8)11(5)10/h7H,6H2,1-5H3
InChIKeyHFPNLOMJNLKOJV-UHFFFAOYSA-N
XLogP2.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-(1-ethylcyclobutyl)-N-fluoroethanamine
CID 167122164
N-fluoro-N,4,4-trimethylpentan-2-amine
CID 167199983
N,N-dimethyl-1-(1-methylcyclobutyl)methanamine
CID 58035277
N-methyl-N-[(1-methylcyclobutyl)methyl]propan-2-amine
CID 58519637
N-(4,4-dimethylpentan-2-yl)-N-methylcyclobutanamine
CID 58617291
N-(5,5-dimethylhexan-2-yl)-N-methylcyclobutanamine
CID 58961650
N-[(3,3-dimethylcyclobutyl)methyl]-N-methylpropan-2-amine
CID 90365875
N,N,3,3-tetramethylcyclobutan-1-amine
CID 131976819
N,N,2,2-tetramethylcyclobutan-1-amine
CID 138749095
N,3,3-trimethyl-N-propan-2-ylcyclobutan-1-amine
CID 155162191
N-ethyl-N,3,3-trimethylcyclobutan-1-amine
CID 167253957
N-ethyl-3,3-dimethyl-N-propylcyclobutan-1-amine
CID 169593339

Frequently Asked Questions

What is the IUPAC name of N-fluoro-N,2,2,4,4-pentamethylcyclobutan-1-amine?
The IUPAC name of N-fluoro-N,2,2,4,4-pentamethylcyclobutan-1-amine (CID 167147715) is N-fluoro-N,2,2,4,4-pentamethylcyclobutan-1-amine.
What is the SMILES notation for N-fluoro-N,2,2,4,4-pentamethylcyclobutan-1-amine?
The canonical SMILES for N-fluoro-N,2,2,4,4-pentamethylcyclobutan-1-amine is CN(F)C1C(C)(C)CC1(C)C.
What is the InChIKey of N-fluoro-N,2,2,4,4-pentamethylcyclobutan-1-amine?
The InChIKey is HFPNLOMJNLKOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN/c1-8(2)6-9(3,4)7(8)11(5)10/h7H,6H2,1-5H3.
What are the key properties of N-fluoro-N,2,2,4,4-pentamethylcyclobutan-1-amine?
N-fluoro-N,2,2,4,4-pentamethylcyclobutan-1-amine has a molecular weight of 159.25 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-N,2,2,4,4-pentamethylcyclobutan-1-amine is sourced from PubChem (CID 167147715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).