N'-methyl-N-propan-2-yl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine

C12H18F3N3 — CID 62585853

IUPACN'-methyl-N-propan-2-yl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
SMILESCC(C)NCCN(C)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C12H18F3N3/c1-9(2)16-6-7-18(3)11-5-4-10(8-17-11)12(13,14)15/h4-5,8-9,16H,6-7H2,1-3H3
InChIKeyMSQCCBLMIIWGSW-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.53
Rot. Bonds5

About N'-methyl-N-propan-2-yl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine

N'-methyl-N-propan-2-yl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine (PubChem CID 62585853) has the molecular formula C12H18F3N3 and a molecular weight of 261.29 g/mol. Its IUPAC name is N'-methyl-N-propan-2-yl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N-propan-2-yl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
PubChem CID62585853
Molecular FormulaC12H18F3N3
Molecular Weight261.29 g/mol
Exact Mass261.15
IUPAC NameN'-methyl-N-propan-2-yl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
SMILESCC(C)NCCN(C)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C12H18F3N3/c1-9(2)16-6-7-18(3)11-5-4-10(8-17-11)12(13,14)15/h4-5,8-9,16H,6-7H2,1-3H3
InChIKeyMSQCCBLMIIWGSW-UHFFFAOYSA-N
XLogP2.53
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-N'-methyl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 62591788
N'-(5-chloro-2-pyridinyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 62585670
N-methyl-N-(2-methylpropyl)-5-(trifluoromethyl)pyridin-2-amine
CID 133276838
N'-(5-tert-butyl-2-pyridinyl)-N,N'-dimethylethane-1,2-diamine
CID 107874362
N',2,2-trimethyl-N'-[5-(trifluoromethyl)-2-pyridinyl]propane-1,3-diamine
CID 79652291
N-[2-[4-(trifluoromethyl)phenoxy]ethyl]propan-2-amine
CID 29080754
N-(2-chloroethyl)-N-ethyl-5-(trifluoromethyl)pyridin-2-amine
CID 63392079
3-[propan-2-yl-[5-(trifluoromethyl)-2-pyridinyl]amino]propan-1-ol
CID 61146387
1-N,1-N-dimethyl-2-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]propane-1,2-diamine
CID 114908431
N-methyl-5-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 62282456
N-[[2-(aminomethyl)phenyl]methyl]-N-methyl-5-(trifluoromethyl)pyridin-2-amine
CID 60922080
N'-(5-tert-butyl-2-pyridinyl)-N'-methylethane-1,2-diamine
CID 107875067

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-propan-2-yl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine?
The IUPAC name of N'-methyl-N-propan-2-yl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine (CID 62585853) is N'-methyl-N-propan-2-yl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N-propan-2-yl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N-propan-2-yl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine is CC(C)NCCN(C)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of N'-methyl-N-propan-2-yl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine?
The InChIKey is MSQCCBLMIIWGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3/c1-9(2)16-6-7-18(3)11-5-4-10(8-17-11)12(13,14)15/h4-5,8-9,16H,6-7H2,1-3H3.
What are the key properties of N'-methyl-N-propan-2-yl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine?
N'-methyl-N-propan-2-yl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine has a molecular weight of 261.29 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-propan-2-yl-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine is sourced from PubChem (CID 62585853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).