2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,1,1-trifluoro-2-N-methylpentane-2,3-diamine

C13H26F3N3 — CID 105413675

IUPAC2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,1,1-trifluoro-2-N-methylpentane-2,3-diamine
SMILESCCC(N)C(N(C)CC1(N(C)C)CCC1)C(F)(F)F
InChIInChI=1S/C13H26F3N3/c1-5-10(17)11(13(14,15)16)19(4)9-12(18(2)3)7-6-8-12/h10-11H,5-9,17H2,1-4H3
InChIKeyHCTWCMCPJRVXTC-UHFFFAOYSA-N
MW281.37 g/mol
LogP2.07
Rot. Bonds6

About 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,1,1-trifluoro-2-N-methylpentane-2,3-diamine

2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,1,1-trifluoro-2-N-methylpentane-2,3-diamine (PubChem CID 105413675) has the molecular formula C13H26F3N3 and a molecular weight of 281.37 g/mol. Its IUPAC name is 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,1,1-trifluoro-2-N-methylpentane-2,3-diamine.

Molecular Properties

Compound Name2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,1,1-trifluoro-2-N-methylpentane-2,3-diamine
PubChem CID105413675
Molecular FormulaC13H26F3N3
Molecular Weight281.37 g/mol
Exact Mass281.21
IUPAC Name2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,1,1-trifluoro-2-N-methylpentane-2,3-diamine
SMILESCCC(N)C(N(C)CC1(N(C)C)CCC1)C(F)(F)F
InChIInChI=1S/C13H26F3N3/c1-5-10(17)11(13(14,15)16)19(4)9-12(18(2)3)7-6-8-12/h10-11H,5-9,17H2,1-4H3
InChIKeyHCTWCMCPJRVXTC-UHFFFAOYSA-N
XLogP2.07
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,1,1-trifluoro-2-N-methylpentane-2,3-diamine?
The IUPAC name of 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,1,1-trifluoro-2-N-methylpentane-2,3-diamine (CID 105413675) is 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,1,1-trifluoro-2-N-methylpentane-2,3-diamine.
What is the SMILES notation for 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,1,1-trifluoro-2-N-methylpentane-2,3-diamine?
The canonical SMILES for 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,1,1-trifluoro-2-N-methylpentane-2,3-diamine is CCC(N)C(N(C)CC1(N(C)C)CCC1)C(F)(F)F.
What is the InChIKey of 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,1,1-trifluoro-2-N-methylpentane-2,3-diamine?
The InChIKey is HCTWCMCPJRVXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F3N3/c1-5-10(17)11(13(14,15)16)19(4)9-12(18(2)3)7-6-8-12/h10-11H,5-9,17H2,1-4H3.
What are the key properties of 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,1,1-trifluoro-2-N-methylpentane-2,3-diamine?
2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,1,1-trifluoro-2-N-methylpentane-2,3-diamine has a molecular weight of 281.37 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,1,1-trifluoro-2-N-methylpentane-2,3-diamine is sourced from PubChem (CID 105413675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).