2,2,4-trimethyl-6-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyridin-1-ium

C14H26N+ — CID 59435222

IUPAC2,2,4-trimethyl-6-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyridin-1-ium
SMILESCC(C)=C1C(C(C)C)=[NH+]C(C)(C)CC1C
InChIInChI=1S/C14H25N/c1-9(2)12-11(5)8-14(6,7)15-13(12)10(3)4/h10-11H,8H2,1-7H3/p+1
InChIKeyNFJSZCMTSZHDLQ-UHFFFAOYSA-O
MW208.37 g/mol
LogP2.32
Rot. Bonds1

About 2,2,4-trimethyl-6-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyridin-1-ium

2,2,4-trimethyl-6-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyridin-1-ium (PubChem CID 59435222) has the molecular formula C14H26N+ and a molecular weight of 208.37 g/mol. Its IUPAC name is 2,2,4-trimethyl-6-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyridin-1-ium.

Molecular Properties

Compound Name2,2,4-trimethyl-6-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyridin-1-ium
PubChem CID59435222
Molecular FormulaC14H26N+
Molecular Weight208.37 g/mol
Exact Mass208.21
IUPAC Name2,2,4-trimethyl-6-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyridin-1-ium
SMILESCC(C)=C1C(C(C)C)=[NH+]C(C)(C)CC1C
InChIInChI=1S/C14H25N/c1-9(2)12-11(5)8-14(6,7)15-13(12)10(3)4/h10-11H,8H2,1-7H3/p+1
InChIKeyNFJSZCMTSZHDLQ-UHFFFAOYSA-O
XLogP2.32
TPSA13.97 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-6-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyridin-1-ium?
The IUPAC name of 2,2,4-trimethyl-6-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyridin-1-ium (CID 59435222) is 2,2,4-trimethyl-6-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyridin-1-ium.
What is the SMILES notation for 2,2,4-trimethyl-6-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyridin-1-ium?
The canonical SMILES for 2,2,4-trimethyl-6-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyridin-1-ium is CC(C)=C1C(C(C)C)=[NH+]C(C)(C)CC1C.
What is the InChIKey of 2,2,4-trimethyl-6-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyridin-1-ium?
The InChIKey is NFJSZCMTSZHDLQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H25N/c1-9(2)12-11(5)8-14(6,7)15-13(12)10(3)4/h10-11H,8H2,1-7H3/p+1.
What are the key properties of 2,2,4-trimethyl-6-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyridin-1-ium?
2,2,4-trimethyl-6-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyridin-1-ium has a molecular weight of 208.37 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-6-propan-2-yl-5-propan-2-ylidene-3,4-dihydropyridin-1-ium is sourced from PubChem (CID 59435222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).