1,1,1-trifluoro-2-N,4-N-dimethyl-3-propylpentane-2,4-diamine

C10H21F3N2 — CID 167222191

IUPAC1,1,1-trifluoro-2-N,4-N-dimethyl-3-propylpentane-2,4-diamine
SMILESCCCC(C(C)NC)C(NC)C(F)(F)F
InChIInChI=1S/C10H21F3N2/c1-5-6-8(7(2)14-3)9(15-4)10(11,12)13/h7-9,14-15H,5-6H2,1-4H3
InChIKeyGPKLKFJEDFKOKE-UHFFFAOYSA-N
MW226.29 g/mol
LogP2.16
Rot. Bonds6

About 1,1,1-trifluoro-2-N,4-N-dimethyl-3-propylpentane-2,4-diamine

1,1,1-trifluoro-2-N,4-N-dimethyl-3-propylpentane-2,4-diamine (PubChem CID 167222191) has the molecular formula C10H21F3N2 and a molecular weight of 226.29 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-N,4-N-dimethyl-3-propylpentane-2,4-diamine.

Molecular Properties

Compound Name1,1,1-trifluoro-2-N,4-N-dimethyl-3-propylpentane-2,4-diamine
PubChem CID167222191
Molecular FormulaC10H21F3N2
Molecular Weight226.29 g/mol
Exact Mass226.17
IUPAC Name1,1,1-trifluoro-2-N,4-N-dimethyl-3-propylpentane-2,4-diamine
SMILESCCCC(C(C)NC)C(NC)C(F)(F)F
InChIInChI=1S/C10H21F3N2/c1-5-6-8(7(2)14-3)9(15-4)10(11,12)13/h7-9,14-15H,5-6H2,1-4H3
InChIKeyGPKLKFJEDFKOKE-UHFFFAOYSA-N
XLogP2.16
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-N,4-N-dimethyl-3-propylpentane-2,4-diamine?
The IUPAC name of 1,1,1-trifluoro-2-N,4-N-dimethyl-3-propylpentane-2,4-diamine (CID 167222191) is 1,1,1-trifluoro-2-N,4-N-dimethyl-3-propylpentane-2,4-diamine.
What is the SMILES notation for 1,1,1-trifluoro-2-N,4-N-dimethyl-3-propylpentane-2,4-diamine?
The canonical SMILES for 1,1,1-trifluoro-2-N,4-N-dimethyl-3-propylpentane-2,4-diamine is CCCC(C(C)NC)C(NC)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-N,4-N-dimethyl-3-propylpentane-2,4-diamine?
The InChIKey is GPKLKFJEDFKOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3N2/c1-5-6-8(7(2)14-3)9(15-4)10(11,12)13/h7-9,14-15H,5-6H2,1-4H3.
What are the key properties of 1,1,1-trifluoro-2-N,4-N-dimethyl-3-propylpentane-2,4-diamine?
1,1,1-trifluoro-2-N,4-N-dimethyl-3-propylpentane-2,4-diamine has a molecular weight of 226.29 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-N,4-N-dimethyl-3-propylpentane-2,4-diamine is sourced from PubChem (CID 167222191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).