1-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N,2,4,4-tetramethylcyclopentan-1-amine

C17H27FN2 — CID 106663019

IUPAC1-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N,2,4,4-tetramethylcyclopentan-1-amine
SMILESCC1CC(C)(C)CC1(CN)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C17H27FN2/c1-13-9-16(2,3)11-17(13,12-19)20(4)10-14-5-7-15(18)8-6-14/h5-8,13H,9-12,19H2,1-4H3
InChIKeyAXSYUFNOBWSAAZ-UHFFFAOYSA-N
MW278.41 g/mol
LogP3.41
Rot. Bonds4

About 1-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N,2,4,4-tetramethylcyclopentan-1-amine

1-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N,2,4,4-tetramethylcyclopentan-1-amine (PubChem CID 106663019) has the molecular formula C17H27FN2 and a molecular weight of 278.41 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N,2,4,4-tetramethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N,2,4,4-tetramethylcyclopentan-1-amine
PubChem CID106663019
Molecular FormulaC17H27FN2
Molecular Weight278.41 g/mol
Exact Mass278.22
IUPAC Name1-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N,2,4,4-tetramethylcyclopentan-1-amine
SMILESCC1CC(C)(C)CC1(CN)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C17H27FN2/c1-13-9-16(2,3)11-17(13,12-19)20(4)10-14-5-7-15(18)8-6-14/h5-8,13H,9-12,19H2,1-4H3
InChIKeyAXSYUFNOBWSAAZ-UHFFFAOYSA-N
XLogP3.41
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N,2,4,4-tetramethylcyclopentan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N,2,4,4-tetramethylcyclopentan-1-amine (CID 106663019) is 1-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N,2,4,4-tetramethylcyclopentan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N,2,4,4-tetramethylcyclopentan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N,2,4,4-tetramethylcyclopentan-1-amine is CC1CC(C)(C)CC1(CN)N(C)Cc1ccc(F)cc1.
What is the InChIKey of 1-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N,2,4,4-tetramethylcyclopentan-1-amine?
The InChIKey is AXSYUFNOBWSAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-13-9-16(2,3)11-17(13,12-19)20(4)10-14-5-7-15(18)8-6-14/h5-8,13H,9-12,19H2,1-4H3.
What are the key properties of 1-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N,2,4,4-tetramethylcyclopentan-1-amine?
1-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N,2,4,4-tetramethylcyclopentan-1-amine has a molecular weight of 278.41 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[(4-fluorophenyl)methyl]-N,2,4,4-tetramethylcyclopentan-1-amine is sourced from PubChem (CID 106663019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).