1-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-N,4-dimethylpentane-1,3-diamine

C13H19ClF3N3 — CID 115318124

IUPAC1-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-N,4-dimethylpentane-1,3-diamine
SMILESCC(C)C(N)CCN(C)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H19ClF3N3/c1-8(2)11(18)4-5-20(3)12-10(14)6-9(7-19-12)13(15,16)17/h6-8,11H,4-5,18H2,1-3H3
InChIKeyIDICTWBFGRLNJF-UHFFFAOYSA-N
MW309.76 g/mol
LogP3.56
Rot. Bonds5

About 1-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-N,4-dimethylpentane-1,3-diamine

1-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-N,4-dimethylpentane-1,3-diamine (PubChem CID 115318124) has the molecular formula C13H19ClF3N3 and a molecular weight of 309.76 g/mol. Its IUPAC name is 1-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-N,4-dimethylpentane-1,3-diamine.

Molecular Properties

Compound Name1-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-N,4-dimethylpentane-1,3-diamine
PubChem CID115318124
Molecular FormulaC13H19ClF3N3
Molecular Weight309.76 g/mol
Exact Mass309.12
IUPAC Name1-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-N,4-dimethylpentane-1,3-diamine
SMILESCC(C)C(N)CCN(C)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H19ClF3N3/c1-8(2)11(18)4-5-20(3)12-10(14)6-9(7-19-12)13(15,16)17/h6-8,11H,4-5,18H2,1-3H3
InChIKeyIDICTWBFGRLNJF-UHFFFAOYSA-N
XLogP3.56
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.76
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]propan-2-ol
CID 55037938
3-chloro-N,N-dimethyl-5-(trifluoromethyl)pyridin-2-amine
CID 14933767
N-[(4-aminophenyl)methyl]-3-chloro-N-methyl-5-(trifluoromethyl)pyridin-2-amine
CID 60875723
N-(2-bromoethyl)-3-chloro-N-propan-2-yl-5-(trifluoromethyl)pyridin-2-amine
CID 80670303
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-cyclopropyl-N-methylethane-1,2-diamine
CID 116653233
4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-N-methylcyclohexane-1,4-diamine
CID 79115291
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]ethyl 2-(3,5-dichlorophenyl)acetate
CID 158730387
3-chloro-N-methyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-5-(trifluoromethyl)pyridin-2-amine
CID 95345894
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-methylamino]-N-ethylacetamide
CID 47256308
(2R)-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-amine;hydrochloride
CID 142503813
4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-N-ethylcyclohexane-1,4-diamine
CID 79114166
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-propan-2-ylamino]acetic acid
CID 60829528

Frequently Asked Questions

What is the IUPAC name of 1-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-N,4-dimethylpentane-1,3-diamine?
The IUPAC name of 1-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-N,4-dimethylpentane-1,3-diamine (CID 115318124) is 1-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-N,4-dimethylpentane-1,3-diamine.
What is the SMILES notation for 1-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-N,4-dimethylpentane-1,3-diamine?
The canonical SMILES for 1-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-N,4-dimethylpentane-1,3-diamine is CC(C)C(N)CCN(C)c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 1-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-N,4-dimethylpentane-1,3-diamine?
The InChIKey is IDICTWBFGRLNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClF3N3/c1-8(2)11(18)4-5-20(3)12-10(14)6-9(7-19-12)13(15,16)17/h6-8,11H,4-5,18H2,1-3H3.
What are the key properties of 1-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-N,4-dimethylpentane-1,3-diamine?
1-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-N,4-dimethylpentane-1,3-diamine has a molecular weight of 309.76 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-N,4-dimethylpentane-1,3-diamine is sourced from PubChem (CID 115318124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).