N,N-dimethyl-2-[6-methylidene-1-propan-2-yl-4-(trifluoromethyl)-3-pyridinyl]ethanamine

C14H21F3N2 — CID 157402262

IUPACN,N-dimethyl-2-[6-methylidene-1-propan-2-yl-4-(trifluoromethyl)-3-pyridinyl]ethanamine
SMILESC=C1C=C(C(F)(F)F)C(CCN(C)C)=CN1C(C)C
InChIInChI=1S/C14H21F3N2/c1-10(2)19-9-12(6-7-18(4)5)13(8-11(19)3)14(15,16)17/h8-10H,3,6-7H2,1-2,4-5H3
InChIKeySUKWUSXWJQJBJV-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.55
Rot. Bonds4

About N,N-dimethyl-2-[6-methylidene-1-propan-2-yl-4-(trifluoromethyl)-3-pyridinyl]ethanamine

N,N-dimethyl-2-[6-methylidene-1-propan-2-yl-4-(trifluoromethyl)-3-pyridinyl]ethanamine (PubChem CID 157402262) has the molecular formula C14H21F3N2 and a molecular weight of 274.33 g/mol. Its IUPAC name is N,N-dimethyl-2-[6-methylidene-1-propan-2-yl-4-(trifluoromethyl)-3-pyridinyl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[6-methylidene-1-propan-2-yl-4-(trifluoromethyl)-3-pyridinyl]ethanamine
PubChem CID157402262
Molecular FormulaC14H21F3N2
Molecular Weight274.33 g/mol
Exact Mass274.17
IUPAC NameN,N-dimethyl-2-[6-methylidene-1-propan-2-yl-4-(trifluoromethyl)-3-pyridinyl]ethanamine
SMILESC=C1C=C(C(F)(F)F)C(CCN(C)C)=CN1C(C)C
InChIInChI=1S/C14H21F3N2/c1-10(2)19-9-12(6-7-18(4)5)13(8-11(19)3)14(15,16)17/h8-10H,3,6-7H2,1-2,4-5H3
InChIKeySUKWUSXWJQJBJV-UHFFFAOYSA-N
XLogP3.55
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N-dimethyl-2-[6-methylidene-1-propan-2-yl-4-(trifluoromethyl)-3-pyridinyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-(Trifluoromethyl)hexa-1,3,5-trien-2-yl]piperidine
CID 91262904
2-ethyl-1,6-dimethyl-4-(trifluoromethyl)-2H-pyridine
CID 123161901
6-Ethyl-10-methyl-3-(trifluoromethyl)-8,9-dihydropyrido[1,2-a]azepine
CID 123877213
5-(difluoromethyl)-3-ethenyl-2-methylidene-1-[(E)-3-methylpent-2-en-2-yl]pyridine
CID 129083859
5-Fluoro-1-(3-methylbut-2-en-2-yl)-2-methylidene-3-propylpyridine
CID 129083998
(2E,4Z)-4-ethyl-N-(1-fluorohexan-3-yl)-N-methylhexa-2,4-dien-3-amine
CID 134449399
(E)-1-N-ethenyl-2-N-hexa-1,5-dien-2-yl-1-N-[[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]prop-1-ene-1,2-diamine
CID 134525402
N,N-dimethyl-1-[3-methyl-5-(trifluoromethyl)cyclopenta-1,4-dien-1-yl]piperidin-4-amine
CID 135218442
3-N-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]-3-N-methylbuta-1,3-diene-2,3-diamine
CID 135269419
5-(6-butan-2-yl-1-methyl-2H-pyridin-5-yl)-2-methyl-1-[(Z)-1,1,1-trifluorobut-2-en-2-yl]-2H-pyridine
CID 139453629
N-ethyl-4-methyl-N-propyl-5-(trifluoromethyl)cyclohexa-1,5-dien-1-amine
CID 141799769
Ethane;1-methyl-8-(trifluoromethyl)-2,3,4,5-tetrahydrocyclohepta[b]pyridine
CID 143548588

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[6-methylidene-1-propan-2-yl-4-(trifluoromethyl)-3-pyridinyl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[6-methylidene-1-propan-2-yl-4-(trifluoromethyl)-3-pyridinyl]ethanamine (CID 157402262) is N,N-dimethyl-2-[6-methylidene-1-propan-2-yl-4-(trifluoromethyl)-3-pyridinyl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[6-methylidene-1-propan-2-yl-4-(trifluoromethyl)-3-pyridinyl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[6-methylidene-1-propan-2-yl-4-(trifluoromethyl)-3-pyridinyl]ethanamine is C=C1C=C(C(F)(F)F)C(CCN(C)C)=CN1C(C)C.
What is the InChIKey of N,N-dimethyl-2-[6-methylidene-1-propan-2-yl-4-(trifluoromethyl)-3-pyridinyl]ethanamine?
The InChIKey is SUKWUSXWJQJBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2/c1-10(2)19-9-12(6-7-18(4)5)13(8-11(19)3)14(15,16)17/h8-10H,3,6-7H2,1-2,4-5H3.
What are the key properties of N,N-dimethyl-2-[6-methylidene-1-propan-2-yl-4-(trifluoromethyl)-3-pyridinyl]ethanamine?
N,N-dimethyl-2-[6-methylidene-1-propan-2-yl-4-(trifluoromethyl)-3-pyridinyl]ethanamine has a molecular weight of 274.33 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[6-methylidene-1-propan-2-yl-4-(trifluoromethyl)-3-pyridinyl]ethanamine is sourced from PubChem (CID 157402262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).