1-N,1-N,4-trimethyl-2-N-[4-(trifluoromethyl)-2-pyridinyl]pentane-1,2-diamine

C14H22F3N3 — CID 66328480

IUPAC1-N,1-N,4-trimethyl-2-N-[4-(trifluoromethyl)-2-pyridinyl]pentane-1,2-diamine
SMILESCC(C)CC(CN(C)C)Nc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C14H22F3N3/c1-10(2)7-12(9-20(3)4)19-13-8-11(5-6-18-13)14(15,16)17/h5-6,8,10,12H,7,9H2,1-4H3,(H,18,19)
InChIKeyDQEBHZWRSOCIMQ-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.49
Rot. Bonds6

About 1-N,1-N,4-trimethyl-2-N-[4-(trifluoromethyl)-2-pyridinyl]pentane-1,2-diamine

1-N,1-N,4-trimethyl-2-N-[4-(trifluoromethyl)-2-pyridinyl]pentane-1,2-diamine (PubChem CID 66328480) has the molecular formula C14H22F3N3 and a molecular weight of 289.35 g/mol. Its IUPAC name is 1-N,1-N,4-trimethyl-2-N-[4-(trifluoromethyl)-2-pyridinyl]pentane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N,4-trimethyl-2-N-[4-(trifluoromethyl)-2-pyridinyl]pentane-1,2-diamine
PubChem CID66328480
Molecular FormulaC14H22F3N3
Molecular Weight289.35 g/mol
Exact Mass289.18
IUPAC Name1-N,1-N,4-trimethyl-2-N-[4-(trifluoromethyl)-2-pyridinyl]pentane-1,2-diamine
SMILESCC(C)CC(CN(C)C)Nc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C14H22F3N3/c1-10(2)7-12(9-20(3)4)19-13-8-11(5-6-18-13)14(15,16)17/h5-6,8,10,12H,7,9H2,1-4H3,(H,18,19)
InChIKeyDQEBHZWRSOCIMQ-UHFFFAOYSA-N
XLogP3.49
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,4-trimethyl-2-N-[4-(trifluoromethyl)-2-pyridinyl]pentane-1,2-diamine?
The IUPAC name of 1-N,1-N,4-trimethyl-2-N-[4-(trifluoromethyl)-2-pyridinyl]pentane-1,2-diamine (CID 66328480) is 1-N,1-N,4-trimethyl-2-N-[4-(trifluoromethyl)-2-pyridinyl]pentane-1,2-diamine.
What is the SMILES notation for 1-N,1-N,4-trimethyl-2-N-[4-(trifluoromethyl)-2-pyridinyl]pentane-1,2-diamine?
The canonical SMILES for 1-N,1-N,4-trimethyl-2-N-[4-(trifluoromethyl)-2-pyridinyl]pentane-1,2-diamine is CC(C)CC(CN(C)C)Nc1cc(C(F)(F)F)ccn1.
What is the InChIKey of 1-N,1-N,4-trimethyl-2-N-[4-(trifluoromethyl)-2-pyridinyl]pentane-1,2-diamine?
The InChIKey is DQEBHZWRSOCIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3/c1-10(2)7-12(9-20(3)4)19-13-8-11(5-6-18-13)14(15,16)17/h5-6,8,10,12H,7,9H2,1-4H3,(H,18,19).
What are the key properties of 1-N,1-N,4-trimethyl-2-N-[4-(trifluoromethyl)-2-pyridinyl]pentane-1,2-diamine?
1-N,1-N,4-trimethyl-2-N-[4-(trifluoromethyl)-2-pyridinyl]pentane-1,2-diamine has a molecular weight of 289.35 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,4-trimethyl-2-N-[4-(trifluoromethyl)-2-pyridinyl]pentane-1,2-diamine is sourced from PubChem (CID 66328480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).